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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/wobble2-518d2a6f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/wobble2-518d2a6f/inputs/seq.fa: 1 curr_seq: _AGUUGUAACUAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGUUGUAACUAG 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 12 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: 65 n_atoms_counter: 65 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -42.813243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813243 (E_RNA) where: Base-Base interactions energy: -0.132 where: short stacking energy: -0.132 Base-Backbone interact. energy: -0.000 local terms energy: -42.680999 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -113.063544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.063544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.063544 (E_RNA) where: Base-Base interactions energy: -71.643 where: short stacking energy: -34.194 Base-Backbone interact. energy: -0.009 local terms energy: -41.411499 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -9.799 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -8.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -118.172292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.172292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.172292 (E_RNA) where: Base-Base interactions energy: -75.366 where: short stacking energy: -31.765 Base-Backbone interact. energy: -0.002 local terms energy: -42.804715 where: bonds (distance) C4'-P energy: -8.873 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -6.305 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -77.686600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.686600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.686600 (E_RNA) where: Base-Base interactions energy: -35.906 where: short stacking energy: -22.164 Base-Backbone interact. energy: -0.003 local terms energy: -41.777964 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -9.332 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: -9.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -102.368569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.368569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.368569 (E_RNA) where: Base-Base interactions energy: -60.567 where: short stacking energy: -24.290 Base-Backbone interact. energy: -0.006 local terms energy: -41.795271 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -9.762 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -8.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -83.411950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.411950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.411950 (E_RNA) where: Base-Base interactions energy: -40.672 where: short stacking energy: -21.751 Base-Backbone interact. energy: -0.002 local terms energy: -42.737990 where: bonds (distance) C4'-P energy: -8.931 bonds (distance) P-C4' energy: -9.429 flat angles C4'-P-C4' energy: -10.060 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -7.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -56.637798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.637798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.637798 (E_RNA) where: Base-Base interactions energy: -21.636 where: short stacking energy: -10.299 Base-Backbone interact. energy: -0.085 local terms energy: -34.916956 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -9.303 flat angles C4'-P-C4' energy: -9.567 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -63.407758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.407758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.407758 (E_RNA) where: Base-Base interactions energy: -28.682 where: short stacking energy: -17.438 Base-Backbone interact. energy: -0.016 local terms energy: -34.709423 where: bonds (distance) C4'-P energy: -8.724 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -81.698119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.698119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.698119 (E_RNA) where: Base-Base interactions energy: -46.172 where: short stacking energy: -15.543 Base-Backbone interact. energy: -0.002 local terms energy: -35.524097 where: bonds (distance) C4'-P energy: -6.725 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -5.105 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -48.393080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.393080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.393080 (E_RNA) where: Base-Base interactions energy: -14.799 where: short stacking energy: -14.130 Base-Backbone interact. energy: -0.008 local terms energy: -33.586033 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.268 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -49.960322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.960322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.960322 (E_RNA) where: Base-Base interactions energy: -22.186 where: short stacking energy: -18.633 Base-Backbone interact. energy: -0.004 local terms energy: -27.770378 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -6.059 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -111.025444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.025444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.025444 (E_RNA) where: Base-Base interactions energy: -70.874 where: short stacking energy: -35.005 Base-Backbone interact. energy: -0.009 local terms energy: -40.143054 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -7.137 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -116.357887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.357887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.357887 (E_RNA) where: Base-Base interactions energy: -73.068 where: short stacking energy: -30.569 Base-Backbone interact. energy: -0.005 local terms energy: -43.284688 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -10.273 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -10.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -80.232796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.232796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.232796 (E_RNA) where: Base-Base interactions energy: -42.591 where: short stacking energy: -25.088 Base-Backbone interact. energy: -0.075 local terms energy: -37.566754 where: bonds (distance) C4'-P energy: -9.830 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -2.975 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -63.786599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.786599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.786599 (E_RNA) where: Base-Base interactions energy: -28.393 where: short stacking energy: -28.393 Base-Backbone interact. energy: 0.014 local terms energy: -35.407881 where: bonds (distance) C4'-P energy: -8.820 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -9.094 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -6.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -111.069715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.069715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.069715 (E_RNA) where: Base-Base interactions energy: -74.200 where: short stacking energy: -32.969 Base-Backbone interact. energy: 0.101 local terms energy: -36.970928 where: bonds (distance) C4'-P energy: -6.042 bonds (distance) P-C4' energy: -9.245 flat angles C4'-P-C4' energy: -10.458 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -52.848723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.848723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.848723 (E_RNA) where: Base-Base interactions energy: -21.166 where: short stacking energy: -21.166 Base-Backbone interact. energy: -0.033 local terms energy: -31.649191 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -3.218 flat angles C4'-P-C4' energy: -9.087 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -67.416430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.416430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.416430 (E_RNA) where: Base-Base interactions energy: -34.144 where: short stacking energy: -25.269 Base-Backbone interact. energy: -0.083 local terms energy: -33.190001 where: bonds (distance) C4'-P energy: -7.888 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -10.091 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -85.092034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.092034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.092034 (E_RNA) where: Base-Base interactions energy: -55.969 where: short stacking energy: -25.464 Base-Backbone interact. energy: -0.228 local terms energy: -28.894946 where: bonds (distance) C4'-P energy: -5.011 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -6.580 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -51.424564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.424564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.424564 (E_RNA) where: Base-Base interactions energy: -19.292 where: short stacking energy: -19.292 Base-Backbone interact. energy: -0.100 local terms energy: -32.032181 where: bonds (distance) C4'-P energy: -9.032 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -5.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -47.747161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.747161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.747161 (E_RNA) where: Base-Base interactions energy: -17.021 where: short stacking energy: -17.021 Base-Backbone interact. energy: -0.355 local terms energy: -30.371051 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -4.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -120.869267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.869267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.869267 (E_RNA) where: Base-Base interactions energy: -83.017 where: short stacking energy: -34.976 Base-Backbone interact. energy: -0.066 local terms energy: -37.785957 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -9.662 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -12.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -118.098010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.098010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.098010 (E_RNA) where: Base-Base interactions energy: -76.563 where: short stacking energy: -31.646 Base-Backbone interact. energy: -0.239 local terms energy: -41.296192 where: bonds (distance) C4'-P energy: -8.162 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -8.929 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -6.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -113.116826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.116826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.116826 (E_RNA) where: Base-Base interactions energy: -80.646 where: short stacking energy: -27.750 Base-Backbone interact. energy: -0.102 local terms energy: -32.368499 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -10.150 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -71.663374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.663374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.663374 (E_RNA) where: Base-Base interactions energy: -43.948 where: short stacking energy: -22.917 Base-Backbone interact. energy: -0.125 local terms energy: -27.591051 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.221 flat angles C4'-P-C4' energy: -8.015 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -117.449403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.449403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.449403 (E_RNA) where: Base-Base interactions energy: -73.543 where: short stacking energy: -34.224 Base-Backbone interact. energy: -0.003 local terms energy: -43.903267 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -9.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -54.587145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.587145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.587145 (E_RNA) where: Base-Base interactions energy: -20.483 where: short stacking energy: -20.483 Base-Backbone interact. energy: -0.098 local terms energy: -34.006404 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -9.411 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -68.628704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.628704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.628704 (E_RNA) where: Base-Base interactions energy: -38.249 where: short stacking energy: -24.283 Base-Backbone interact. energy: -0.068 local terms energy: -30.311386 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -9.397 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -56.397627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.397627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.397627 (E_RNA) where: Base-Base interactions energy: -28.023 where: short stacking energy: -10.420 Base-Backbone interact. energy: -0.104 local terms energy: -28.270276 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -6.850 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -54.620798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.620798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.620798 (E_RNA) where: Base-Base interactions energy: -17.396 where: short stacking energy: -17.396 Base-Backbone interact. energy: -0.095 local terms energy: -37.130603 where: bonds (distance) C4'-P energy: -7.569 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -55.860671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.860671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.860671 (E_RNA) where: Base-Base interactions energy: -25.166 where: short stacking energy: -25.166 Base-Backbone interact. energy: -0.036 local terms energy: -30.658898 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -5.490 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -115.857752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.857752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.857752 (E_RNA) where: Base-Base interactions energy: -74.293 where: short stacking energy: -30.503 Base-Backbone interact. energy: -0.052 local terms energy: -41.511978 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -8.984 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -7.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -117.551294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.551294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.551294 (E_RNA) where: Base-Base interactions energy: -77.853 where: short stacking energy: -31.967 Base-Backbone interact. energy: -0.234 local terms energy: -39.463808 where: bonds (distance) C4'-P energy: -9.317 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -7.555 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: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -111.513024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.513024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.513024 (E_RNA) where: Base-Base interactions energy: -70.470 where: short stacking energy: -30.460 Base-Backbone interact. energy: -0.016 local terms energy: -41.027019 where: bonds (distance) C4'-P energy: -8.356 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -8.946 flat angles P-C4'-P energy: -7.901 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -107.633130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.633130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.633130 (E_RNA) where: Base-Base interactions energy: -71.988 where: short stacking energy: -32.458 Base-Backbone interact. energy: -0.050 local terms energy: -35.594291 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -9.671 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -6.640 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -63.762903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.762903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.762903 (E_RNA) where: Base-Base interactions energy: -27.672 where: short stacking energy: -9.198 Base-Backbone interact. energy: -0.084 local terms energy: -36.006789 where: bonds (distance) C4'-P energy: -8.463 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -61.480501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.480501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.480501 (E_RNA) where: Base-Base interactions energy: -25.383 where: short stacking energy: -25.383 Base-Backbone interact. energy: -0.030 local terms energy: -36.067138 where: bonds (distance) C4'-P energy: -7.524 bonds (distance) P-C4' energy: -9.256 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -55.757511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.757511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.757511 (E_RNA) where: Base-Base interactions energy: -20.652 where: short stacking energy: -20.512 Base-Backbone interact. energy: -1.026 local terms energy: -34.079209 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -59.300677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.300677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.300677 (E_RNA) where: Base-Base interactions energy: -20.562 where: short stacking energy: -20.562 Base-Backbone interact. energy: -0.065 local terms energy: -38.672948 where: bonds (distance) C4'-P energy: -9.039 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -56.145360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.145360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.145360 (E_RNA) where: Base-Base interactions energy: -24.512 where: short stacking energy: -24.418 Base-Backbone interact. energy: -0.007 local terms energy: -31.626934 where: bonds (distance) C4'-P energy: -9.166 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -50.613538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.613538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.613538 (E_RNA) where: Base-Base interactions energy: -20.636 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.065 local terms energy: -29.912764 where: bonds (distance) C4'-P energy: -8.435 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -119.970468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.970468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.970468 (E_RNA) where: Base-Base interactions energy: -72.421 where: short stacking energy: -32.465 Base-Backbone interact. energy: -0.048 local terms energy: -47.501359 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -10.440 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -12.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -107.582745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.582745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.582745 (E_RNA) where: Base-Base interactions energy: -68.249 where: short stacking energy: -27.680 Base-Backbone interact. energy: -1.892 local terms energy: -37.442097 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -8.700 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -2.416 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: 3, replica: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -113.248940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.248940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.248940 (E_RNA) where: Base-Base interactions energy: -78.166 where: short stacking energy: -29.745 Base-Backbone interact. energy: -0.031 local terms energy: -35.051512 where: bonds (distance) C4'-P energy: -6.787 bonds (distance) P-C4' energy: -9.901 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -7.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -105.462782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.462782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.462782 (E_RNA) where: Base-Base interactions energy: -66.627 where: short stacking energy: -27.250 Base-Backbone interact. energy: -1.208 local terms energy: -37.628151 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.965 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -7.603 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -60.564087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.564087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.564087 (E_RNA) where: Base-Base interactions energy: -25.077 where: short stacking energy: -25.077 Base-Backbone interact. energy: -0.030 local terms energy: -35.457517 where: bonds (distance) C4'-P energy: -4.642 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.994 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -108.858961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.858961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.858961 (E_RNA) where: Base-Base interactions energy: -77.761 where: short stacking energy: -31.646 Base-Backbone interact. energy: -0.149 local terms energy: -30.948924 where: bonds (distance) C4'-P energy: -4.799 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -7.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -63.362603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.362603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.362603 (E_RNA) where: Base-Base interactions energy: -25.748 where: short stacking energy: -21.557 Base-Backbone interact. energy: -0.224 local terms energy: -37.390818 where: bonds (distance) C4'-P energy: -7.598 bonds (distance) P-C4' energy: -9.153 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -7.701 tors. eta vs tors. theta energy: -6.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -54.967160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.967160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.967160 (E_RNA) where: Base-Base interactions energy: -22.469 where: short stacking energy: -13.516 Base-Backbone interact. energy: -0.994 local terms energy: -31.504204 where: bonds (distance) C4'-P energy: -8.384 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -9.147 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: 0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -54.165870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.165870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.165870 (E_RNA) where: Base-Base interactions energy: -19.278 where: short stacking energy: -18.328 Base-Backbone interact. energy: -0.005 local terms energy: -34.882731 where: bonds (distance) C4'-P energy: -9.204 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -54.605897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.605897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.605897 (E_RNA) where: Base-Base interactions energy: -22.281 where: short stacking energy: -16.513 Base-Backbone interact. energy: -0.176 local terms energy: -32.149199 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -119.050391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.050391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.050391 (E_RNA) where: Base-Base interactions energy: -77.302 where: short stacking energy: -34.334 Base-Backbone interact. energy: -0.214 local terms energy: -41.534797 where: bonds (distance) C4'-P energy: -8.898 bonds (distance) P-C4' energy: -7.818 flat angles C4'-P-C4' energy: -10.637 flat angles P-C4'-P energy: -2.166 tors. eta vs tors. theta energy: -12.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -114.377914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.377914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.377914 (E_RNA) where: Base-Base interactions energy: -79.887 where: short stacking energy: -27.193 Base-Backbone interact. energy: -0.026 local terms energy: -34.464668 where: bonds (distance) C4'-P energy: -7.706 bonds (distance) P-C4' energy: -9.436 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -7.555 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: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -108.135865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.135865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.135865 (E_RNA) where: Base-Base interactions energy: -72.560 where: short stacking energy: -31.458 Base-Backbone interact. energy: -0.562 local terms energy: -35.013900 where: bonds (distance) C4'-P energy: -6.119 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -9.434 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -5.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -115.519467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.519467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.519467 (E_RNA) where: Base-Base interactions energy: -76.649 where: short stacking energy: -36.260 Base-Backbone interact. energy: -0.009 local terms energy: -38.861919 where: bonds (distance) C4'-P energy: -7.681 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -9.566 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: 8 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -59.778102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.778102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.778102 (E_RNA) where: Base-Base interactions energy: -26.143 where: short stacking energy: -25.557 Base-Backbone interact. energy: -0.126 local terms energy: -33.508799 where: bonds (distance) C4'-P energy: -8.526 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -9.034 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -106.770227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.770227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.770227 (E_RNA) where: Base-Base interactions energy: -64.821 where: short stacking energy: -31.173 Base-Backbone interact. energy: -0.089 local terms energy: -41.859481 where: bonds (distance) C4'-P energy: -9.254 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -9.189 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: 10 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -58.458084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.458084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.458084 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -17.135 Base-Backbone interact. energy: -0.001 local terms energy: -39.482902 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -9.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -49.874995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.874995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.874995 (E_RNA) where: Base-Base interactions energy: -19.106 where: short stacking energy: -17.600 Base-Backbone interact. energy: 0.574 local terms energy: -31.343581 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -48.292976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.292976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.292976 (E_RNA) where: Base-Base interactions energy: -15.235 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.009 local terms energy: -33.049588 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -11.096 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: 0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -45.917775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.917775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.917775 (E_RNA) where: Base-Base interactions energy: -21.703 where: short stacking energy: -18.076 Base-Backbone interact. energy: -0.033 local terms energy: -24.181758 where: bonds (distance) C4'-P energy: -6.083 bonds (distance) P-C4' energy: -7.823 flat angles C4'-P-C4' energy: -9.005 flat angles P-C4'-P energy: -0.209 tors. eta vs tors. theta energy: -1.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -116.060622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.060622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.060622 (E_RNA) where: Base-Base interactions energy: -71.468 where: short stacking energy: -33.526 Base-Backbone interact. energy: -1.294 local terms energy: -43.299093 where: bonds (distance) C4'-P energy: -6.948 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -10.790 flat angles P-C4'-P energy: -6.918 tors. eta vs tors. theta energy: -8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -118.520762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.520762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.520762 (E_RNA) where: Base-Base interactions energy: -76.075 where: short stacking energy: -32.114 Base-Backbone interact. energy: -0.950 local terms energy: -41.496137 where: bonds (distance) C4'-P energy: -9.394 bonds (distance) P-C4' energy: -6.279 flat angles C4'-P-C4' energy: -10.155 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -109.025696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.025696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.025696 (E_RNA) where: Base-Base interactions energy: -69.127 where: short stacking energy: -31.045 Base-Backbone interact. energy: -1.026 local terms energy: -38.873315 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -9.380 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -8.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -104.849470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.849470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.849470 (E_RNA) where: Base-Base interactions energy: -66.933 where: short stacking energy: -29.302 Base-Backbone interact. energy: -0.082 local terms energy: -37.834705 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -109.092013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.092013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.092013 (E_RNA) where: Base-Base interactions energy: -70.340 where: short stacking energy: -26.388 Base-Backbone interact. energy: -0.486 local terms energy: -38.265986 where: bonds (distance) C4'-P energy: -8.356 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -9.553 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: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -63.885257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.885257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.885257 (E_RNA) where: Base-Base interactions energy: -29.667 where: short stacking energy: -25.460 Base-Backbone interact. energy: -0.204 local terms energy: -34.014216 where: bonds (distance) C4'-P energy: -6.824 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -60.530029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.530029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.530029 (E_RNA) where: Base-Base interactions energy: -28.691 where: short stacking energy: -23.720 Base-Backbone interact. energy: -0.001 local terms energy: -31.837819 where: bonds (distance) C4'-P energy: -8.886 bonds (distance) P-C4' energy: -7.472 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -2.031 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -50.489177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.489177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.489177 (E_RNA) where: Base-Base interactions energy: -20.021 where: short stacking energy: -13.636 Base-Backbone interact. energy: 0.783 local terms energy: -31.250470 where: bonds (distance) C4'-P energy: -9.122 bonds (distance) P-C4' energy: -10.458 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: 0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -52.258676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.258676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.258676 (E_RNA) where: Base-Base interactions energy: -25.900 where: short stacking energy: -13.273 Base-Backbone interact. energy: -0.137 local terms energy: -26.222057 where: bonds (distance) C4'-P energy: -5.136 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -54.577438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.577438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.577438 (E_RNA) where: Base-Base interactions energy: -23.003 where: short stacking energy: -16.979 Base-Backbone interact. energy: -0.102 local terms energy: -31.472056 where: bonds (distance) C4'-P energy: -6.865 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -115.750023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.750023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.750023 (E_RNA) where: Base-Base interactions energy: -78.165 where: short stacking energy: -29.978 Base-Backbone interact. energy: -0.116 local terms energy: -37.468849 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -8.298 flat angles C4'-P-C4' energy: -7.768 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -110.375061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.375061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.375061 (E_RNA) where: Base-Base interactions energy: -68.340 where: short stacking energy: -29.626 Base-Backbone interact. energy: -0.419 local terms energy: -41.615632 where: bonds (distance) C4'-P energy: -9.701 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -6.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -106.523673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.523673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.523673 (E_RNA) where: Base-Base interactions energy: -70.691 where: short stacking energy: -28.278 Base-Backbone interact. energy: -0.009 local terms energy: -35.823720 where: bonds (distance) C4'-P energy: -7.007 bonds (distance) P-C4' energy: -9.982 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -106.792513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.792513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.792513 (E_RNA) where: Base-Base interactions energy: -79.976 where: short stacking energy: -27.732 Base-Backbone interact. energy: -0.014 local terms energy: -26.802341 where: bonds (distance) C4'-P energy: -6.489 bonds (distance) P-C4' energy: -7.930 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -4.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -101.977801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.977801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.977801 (E_RNA) where: Base-Base interactions energy: -67.523 where: short stacking energy: -25.078 Base-Backbone interact. energy: -0.116 local terms energy: -34.338968 where: bonds (distance) C4'-P energy: -7.857 bonds (distance) P-C4' energy: -9.816 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -56.818955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.818955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.818955 (E_RNA) where: Base-Base interactions energy: -25.045 where: short stacking energy: -22.061 Base-Backbone interact. energy: -0.002 local terms energy: -31.771927 where: bonds (distance) C4'-P energy: -3.847 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -53.479069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.479069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.479069 (E_RNA) where: Base-Base interactions energy: -22.815 where: short stacking energy: -14.347 Base-Backbone interact. energy: -0.125 local terms energy: -30.539655 where: bonds (distance) C4'-P energy: -7.813 bonds (distance) P-C4' energy: -10.004 flat angles C4'-P-C4' energy: -7.291 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: 1.020 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: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -57.871347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.871347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.871347 (E_RNA) where: Base-Base interactions energy: -26.001 where: short stacking energy: -20.478 Base-Backbone interact. energy: 0.417 local terms energy: -32.287176 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -50.385445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.385445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.385445 (E_RNA) where: Base-Base interactions energy: -19.423 where: short stacking energy: -10.739 Base-Backbone interact. energy: -0.231 local terms energy: -30.732291 where: bonds (distance) C4'-P energy: -8.906 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -1.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -46.762353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.762353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.762353 (E_RNA) where: Base-Base interactions energy: -22.388 where: short stacking energy: -21.018 Base-Backbone interact. energy: 2.611 local terms energy: -26.985405 where: bonds (distance) C4'-P energy: -3.421 bonds (distance) P-C4' energy: -8.392 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -119.536369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.536369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.536369 (E_RNA) where: Base-Base interactions energy: -78.725 where: short stacking energy: -31.735 Base-Backbone interact. energy: -0.443 local terms energy: -40.369061 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -10.208 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -7.844 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: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -112.040724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.040724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.040724 (E_RNA) where: Base-Base interactions energy: -72.303 where: short stacking energy: -30.556 Base-Backbone interact. energy: -0.010 local terms energy: -39.728323 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -8.891 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -9.031 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: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -110.319743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.319743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.319743 (E_RNA) where: Base-Base interactions energy: -71.113 where: short stacking energy: -33.424 Base-Backbone interact. energy: -0.042 local terms energy: -39.165208 where: bonds (distance) C4'-P energy: -8.878 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -2.104 tors. eta vs tors. theta energy: -10.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -113.067065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.067065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.067065 (E_RNA) where: Base-Base interactions energy: -72.629 where: short stacking energy: -30.150 Base-Backbone interact. energy: -0.240 local terms energy: -40.197526 where: bonds (distance) C4'-P energy: -8.268 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -9.826 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -6.597 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: 5, replica: 2 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -104.469186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.469186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.469186 (E_RNA) where: Base-Base interactions energy: -74.530 where: short stacking energy: -28.457 Base-Backbone interact. energy: -0.304 local terms energy: -29.635053 where: bonds (distance) C4'-P energy: -4.754 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -8.280 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: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -65.826883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.826883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.826883 (E_RNA) where: Base-Base interactions energy: -31.899 where: short stacking energy: -16.002 Base-Backbone interact. energy: -0.001 local terms energy: -33.927099 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -5.269 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -58.930092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.930092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.930092 (E_RNA) where: Base-Base interactions energy: -23.959 where: short stacking energy: -20.205 Base-Backbone interact. energy: -0.016 local terms energy: -34.955798 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.771 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -3.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -51.209863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.209863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.209863 (E_RNA) where: Base-Base interactions energy: -19.055 where: short stacking energy: -19.055 Base-Backbone interact. energy: -0.003 local terms energy: -32.152200 where: bonds (distance) C4'-P energy: -8.276 bonds (distance) P-C4' energy: -5.686 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -54.494681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.494681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.494681 (E_RNA) where: Base-Base interactions energy: -22.422 where: short stacking energy: -17.972 Base-Backbone interact. energy: -1.037 local terms energy: -31.035536 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -7.258 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -52.477826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.477826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.477826 (E_RNA) where: Base-Base interactions energy: -18.832 where: short stacking energy: -18.077 Base-Backbone interact. energy: -0.027 local terms energy: -33.619543 where: bonds (distance) C4'-P energy: -9.776 bonds (distance) P-C4' energy: -4.980 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -120.161003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.161003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.161003 (E_RNA) where: Base-Base interactions energy: -78.347 where: short stacking energy: -37.117 Base-Backbone interact. energy: -2.713 local terms energy: -39.101128 where: bonds (distance) C4'-P energy: -8.923 bonds (distance) P-C4' energy: -6.320 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -9.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -118.695564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.695564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.695564 (E_RNA) where: Base-Base interactions energy: -77.137 where: short stacking energy: -33.335 Base-Backbone interact. energy: -0.056 local terms energy: -41.503056 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -9.276 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -9.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -112.152882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.152882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.152882 (E_RNA) where: Base-Base interactions energy: -74.681 where: short stacking energy: -31.638 Base-Backbone interact. energy: -0.087 local terms energy: -37.384421 where: bonds (distance) C4'-P energy: -7.271 bonds (distance) P-C4' energy: -8.843 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -7.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -119.338365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.338365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.338365 (E_RNA) where: Base-Base interactions energy: -72.043 where: short stacking energy: -32.979 Base-Backbone interact. energy: -0.313 local terms energy: -46.982275 where: bonds (distance) C4'-P energy: -9.787 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -11.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -104.923141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.923141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.923141 (E_RNA) where: Base-Base interactions energy: -69.914 where: short stacking energy: -31.400 Base-Backbone interact. energy: -0.044 local terms energy: -34.965211 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -9.509 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -7.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -63.223985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.223985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.223985 (E_RNA) where: Base-Base interactions energy: -26.403 where: short stacking energy: -21.644 Base-Backbone interact. energy: -0.021 local terms energy: -36.799675 where: bonds (distance) C4'-P energy: -5.221 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -52.965572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.965572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.965572 (E_RNA) where: Base-Base interactions energy: -19.719 where: short stacking energy: -17.095 Base-Backbone interact. energy: 0.229 local terms energy: -33.476114 where: bonds (distance) C4'-P energy: -8.376 bonds (distance) P-C4' energy: -7.773 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -52.339122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.339122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.339122 (E_RNA) where: Base-Base interactions energy: -21.732 where: short stacking energy: -19.625 Base-Backbone interact. energy: 2.047 local terms energy: -32.653927 where: bonds (distance) C4'-P energy: -9.312 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -3.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -51.232664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.232664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.232664 (E_RNA) where: Base-Base interactions energy: -19.827 where: short stacking energy: -13.253 Base-Backbone interact. energy: -0.395 local terms energy: -31.010500 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -9.443 flat angles P-C4'-P energy: -2.180 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -48.332447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.332447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.332447 (E_RNA) where: Base-Base interactions energy: -17.889 where: short stacking energy: -17.889 Base-Backbone interact. energy: -0.170 local terms energy: -30.273445 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -10.176 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -119.433771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.433771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.433771 (E_RNA) where: Base-Base interactions energy: -83.580 where: short stacking energy: -36.282 Base-Backbone interact. energy: 0.086 local terms energy: -35.939959 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -6.314 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -8.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -114.983906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.983906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.983906 (E_RNA) where: Base-Base interactions energy: -70.105 where: short stacking energy: -31.224 Base-Backbone interact. energy: -0.599 local terms energy: -44.280799 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -10.545 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -110.559411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.559411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.559411 (E_RNA) where: Base-Base interactions energy: -73.119 where: short stacking energy: -26.472 Base-Backbone interact. energy: -0.017 local terms energy: -37.423431 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.131 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -7.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -106.425660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.425660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.425660 (E_RNA) where: Base-Base interactions energy: -73.522 where: short stacking energy: -31.422 Base-Backbone interact. energy: 0.074 local terms energy: -32.977491 where: bonds (distance) C4'-P energy: -8.459 bonds (distance) P-C4' energy: -5.328 flat angles C4'-P-C4' energy: -8.789 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -61.877047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.877047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.877047 (E_RNA) where: Base-Base interactions energy: -27.376 where: short stacking energy: -27.376 Base-Backbone interact. energy: -0.175 local terms energy: -34.325840 where: bonds (distance) C4'-P energy: -7.400 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -102.773183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.773183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.773183 (E_RNA) where: Base-Base interactions energy: -64.118 where: short stacking energy: -26.645 Base-Backbone interact. energy: -0.074 local terms energy: -38.580882 where: bonds (distance) C4'-P energy: -10.856 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -5.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -49.857766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.857766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.857766 (E_RNA) where: Base-Base interactions energy: -17.786 where: short stacking energy: -17.786 Base-Backbone interact. energy: -0.123 local terms energy: -31.948820 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -55.269249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.269249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.269249 (E_RNA) where: Base-Base interactions energy: -18.857 where: short stacking energy: -18.857 Base-Backbone interact. energy: -0.001 local terms energy: -36.410472 where: bonds (distance) C4'-P energy: -6.419 bonds (distance) P-C4' energy: -11.600 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -42.182150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.182150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.182150 (E_RNA) where: Base-Base interactions energy: -19.451 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.105 local terms energy: -22.627075 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -0.527 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: 1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -50.010204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.010204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.010204 (E_RNA) where: Base-Base interactions energy: -28.643 where: short stacking energy: -19.040 Base-Backbone interact. energy: 0.133 local terms energy: -21.499941 where: bonds (distance) C4'-P energy: -3.716 bonds (distance) P-C4' energy: -6.250 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: 1.536 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: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -113.580717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.580717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.580717 (E_RNA) where: Base-Base interactions energy: -71.703 where: short stacking energy: -28.005 Base-Backbone interact. energy: -0.141 local terms energy: -41.737500 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -6.601 tors. eta vs tors. theta energy: -6.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -113.545807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.545807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.545807 (E_RNA) where: Base-Base interactions energy: -76.275 where: short stacking energy: -28.983 Base-Backbone interact. energy: -0.003 local terms energy: -37.267681 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -6.381 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: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -106.860860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.860860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.860860 (E_RNA) where: Base-Base interactions energy: -66.371 where: short stacking energy: -28.922 Base-Backbone interact. energy: -1.403 local terms energy: -39.086302 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -7.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -107.849257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.849257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.849257 (E_RNA) where: Base-Base interactions energy: -68.128 where: short stacking energy: -31.444 Base-Backbone interact. energy: -0.443 local terms energy: -39.278619 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -9.443 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -7.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -54.779350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.779350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.779350 (E_RNA) where: Base-Base interactions energy: -16.001 where: short stacking energy: -14.758 Base-Backbone interact. energy: -0.002 local terms energy: -38.776017 where: bonds (distance) C4'-P energy: -8.170 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -9.051 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -110.794067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.794067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.794067 (E_RNA) where: Base-Base interactions energy: -70.983 where: short stacking energy: -35.085 Base-Backbone interact. energy: 1.780 local terms energy: -41.590843 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -8.430 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -7.273 tors. eta vs tors. theta energy: -8.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -70.120713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.120713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.120713 (E_RNA) where: Base-Base interactions energy: -35.798 where: short stacking energy: -25.504 Base-Backbone interact. energy: -0.516 local terms energy: -33.806772 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -10.917 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -56.250680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.250680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.250680 (E_RNA) where: Base-Base interactions energy: -22.401 where: short stacking energy: -19.952 Base-Backbone interact. energy: -0.036 local terms energy: -33.813872 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -9.518 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -1.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -49.217618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.217618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.217618 (E_RNA) where: Base-Base interactions energy: -15.775 where: short stacking energy: -15.367 Base-Backbone interact. energy: -0.071 local terms energy: -33.371965 where: bonds (distance) C4'-P energy: -7.448 bonds (distance) P-C4' energy: -9.014 flat angles C4'-P-C4' energy: -8.492 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -44.988903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.988903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.988903 (E_RNA) where: Base-Base interactions energy: -16.011 where: short stacking energy: -10.983 Base-Backbone interact. energy: -0.221 local terms energy: -28.757459 where: bonds (distance) C4'-P energy: -8.314 bonds (distance) P-C4' energy: -8.929 flat angles C4'-P-C4' energy: -9.383 flat angles P-C4'-P energy: -7.311 tors. eta vs tors. theta energy: 5.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -117.057989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.057989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.057989 (E_RNA) where: Base-Base interactions energy: -76.401 where: short stacking energy: -31.904 Base-Backbone interact. energy: -0.086 local terms energy: -40.570498 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -8.906 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -9.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -113.564873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.564873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.564873 (E_RNA) where: Base-Base interactions energy: -78.795 where: short stacking energy: -34.953 Base-Backbone interact. energy: -0.057 local terms energy: -34.712042 where: bonds (distance) C4'-P energy: -9.523 bonds (distance) P-C4' energy: -9.383 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -0.470 tors. eta vs tors. theta energy: -9.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -111.830145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.830145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.830145 (E_RNA) where: Base-Base interactions energy: -73.400 where: short stacking energy: -28.809 Base-Backbone interact. energy: -0.853 local terms energy: -37.576833 where: bonds (distance) C4'-P energy: -8.865 bonds (distance) P-C4' energy: -10.180 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -7.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -109.352651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.352651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.352651 (E_RNA) where: Base-Base interactions energy: -69.153 where: short stacking energy: -30.320 Base-Backbone interact. energy: -0.007 local terms energy: -40.192936 where: bonds (distance) C4'-P energy: -7.569 bonds (distance) P-C4' energy: -8.197 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -7.865 tors. eta vs tors. theta energy: -8.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -116.630140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.630140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.630140 (E_RNA) where: Base-Base interactions energy: -72.251 where: short stacking energy: -31.386 Base-Backbone interact. energy: -0.001 local terms energy: -44.378653 where: bonds (distance) C4'-P energy: -8.757 bonds (distance) P-C4' energy: -10.133 flat angles C4'-P-C4' energy: -10.243 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -7.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -58.887979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.887979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.887979 (E_RNA) where: Base-Base interactions energy: -22.402 where: short stacking energy: -18.525 Base-Backbone interact. energy: -0.063 local terms energy: -36.422913 where: bonds (distance) C4'-P energy: -7.209 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -52.936079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.936079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.936079 (E_RNA) where: Base-Base interactions energy: -20.010 where: short stacking energy: -17.307 Base-Backbone interact. energy: -0.311 local terms energy: -32.615096 where: bonds (distance) C4'-P energy: -6.849 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -54.734668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.734668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.734668 (E_RNA) where: Base-Base interactions energy: -17.125 where: short stacking energy: -17.125 Base-Backbone interact. energy: -0.141 local terms energy: -37.468406 where: bonds (distance) C4'-P energy: -6.956 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -53.392572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.392572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.392572 (E_RNA) where: Base-Base interactions energy: -21.218 where: short stacking energy: -15.711 Base-Backbone interact. energy: -0.049 local terms energy: -32.125949 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -10.398 flat angles C4'-P-C4' energy: -10.828 flat angles P-C4'-P energy: -1.615 tors. eta vs tors. theta energy: 0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -47.511815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.511815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.511815 (E_RNA) where: Base-Base interactions energy: -16.003 where: short stacking energy: -11.866 Base-Backbone interact. energy: -0.051 local terms energy: -31.457331 where: bonds (distance) C4'-P energy: -8.322 bonds (distance) P-C4' energy: -9.767 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -5.555 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: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -116.454339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.454339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.454339 (E_RNA) where: Base-Base interactions energy: -73.045 where: short stacking energy: -32.970 Base-Backbone interact. energy: -0.001 local terms energy: -43.408478 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -10.591 flat angles C4'-P-C4' energy: -8.878 flat angles P-C4'-P energy: -8.458 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -117.610232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.610232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.610232 (E_RNA) where: Base-Base interactions energy: -79.352 where: short stacking energy: -31.805 Base-Backbone interact. energy: -0.001 local terms energy: -38.257126 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: -6.940 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: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -112.703096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.703096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.703096 (E_RNA) where: Base-Base interactions energy: -69.551 where: short stacking energy: -32.283 Base-Backbone interact. energy: -0.002 local terms energy: -43.150506 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -11.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -111.679532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.679532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.679532 (E_RNA) where: Base-Base interactions energy: -76.453 where: short stacking energy: -32.295 Base-Backbone interact. energy: -0.002 local terms energy: -35.224945 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -6.953 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -9.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -101.845095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.845095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.845095 (E_RNA) where: Base-Base interactions energy: -62.755 where: short stacking energy: -27.288 Base-Backbone interact. energy: -0.014 local terms energy: -39.076338 where: bonds (distance) C4'-P energy: -8.314 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -61.738688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.738688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.738688 (E_RNA) where: Base-Base interactions energy: -27.103 where: short stacking energy: -17.715 Base-Backbone interact. energy: 0.948 local terms energy: -35.583079 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -10.413 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -58.707550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.707550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.707550 (E_RNA) where: Base-Base interactions energy: -20.482 where: short stacking energy: -19.028 Base-Backbone interact. energy: -0.090 local terms energy: -38.135835 where: bonds (distance) C4'-P energy: -8.662 bonds (distance) P-C4' energy: -10.588 flat angles C4'-P-C4' energy: -8.662 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -57.500340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.500340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.500340 (E_RNA) where: Base-Base interactions energy: -24.619 where: short stacking energy: -23.987 Base-Backbone interact. energy: -0.005 local terms energy: -32.876650 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -54.906363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.906363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.906363 (E_RNA) where: Base-Base interactions energy: -25.069 where: short stacking energy: -5.538 Base-Backbone interact. energy: -0.174 local terms energy: -29.663262 where: bonds (distance) C4'-P energy: -8.803 bonds (distance) P-C4' energy: -7.936 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: 1.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -52.367482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.367482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.367482 (E_RNA) where: Base-Base interactions energy: -21.346 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.796 local terms energy: -30.226139 where: bonds (distance) C4'-P energy: -3.521 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -8.986 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -118.836654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.836654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.836654 (E_RNA) where: Base-Base interactions energy: -75.677 where: short stacking energy: -32.857 Base-Backbone interact. energy: -0.598 local terms energy: -42.560908 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -6.476 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -7.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -112.055891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.055891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.055891 (E_RNA) where: Base-Base interactions energy: -73.747 where: short stacking energy: -32.654 Base-Backbone interact. energy: -0.604 local terms energy: -37.704999 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -116.014225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.014225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.014225 (E_RNA) where: Base-Base interactions energy: -73.930 where: short stacking energy: -33.958 Base-Backbone interact. energy: -0.443 local terms energy: -41.640710 where: bonds (distance) C4'-P energy: -8.136 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -9.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -109.163646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.163646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.163646 (E_RNA) where: Base-Base interactions energy: -70.735 where: short stacking energy: -30.209 Base-Backbone interact. energy: -0.007 local terms energy: -38.421619 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -9.037 flat angles P-C4'-P energy: -2.854 tors. eta vs tors. theta energy: -6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -100.333954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.333954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.333954 (E_RNA) where: Base-Base interactions energy: -66.753 where: short stacking energy: -27.943 Base-Backbone interact. energy: -0.117 local terms energy: -33.463438 where: bonds (distance) C4'-P energy: -8.733 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -6.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -53.429431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.429431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.429431 (E_RNA) where: Base-Base interactions energy: -19.493 where: short stacking energy: -17.463 Base-Backbone interact. energy: -0.008 local terms energy: -33.928426 where: bonds (distance) C4'-P energy: -9.042 bonds (distance) P-C4' energy: -9.274 flat angles C4'-P-C4' energy: -9.212 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -50.309065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.309065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.309065 (E_RNA) where: Base-Base interactions energy: -18.208 where: short stacking energy: -18.208 Base-Backbone interact. energy: -0.177 local terms energy: -31.923713 where: bonds (distance) C4'-P energy: -9.412 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -9.276 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -51.647744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.647744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.647744 (E_RNA) where: Base-Base interactions energy: -20.051 where: short stacking energy: -14.963 Base-Backbone interact. energy: -0.081 local terms energy: -31.516005 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -5.362 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -49.020837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.020837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.020837 (E_RNA) where: Base-Base interactions energy: -17.453 where: short stacking energy: -11.257 Base-Backbone interact. energy: -0.226 local terms energy: -31.341659 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -4.040 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -8.874 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -92.137357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.137357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.137357 (E_RNA) where: Base-Base interactions energy: -67.970 where: short stacking energy: -28.010 Base-Backbone interact. energy: -0.010 local terms energy: -24.156516 where: bonds (distance) C4'-P energy: -3.616 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -113.561196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.561196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.561196 (E_RNA) where: Base-Base interactions energy: -72.887 where: short stacking energy: -29.270 Base-Backbone interact. energy: -0.874 local terms energy: -39.800112 where: bonds (distance) C4'-P energy: -7.945 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -6.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -119.906908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.906908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.906908 (E_RNA) where: Base-Base interactions energy: -78.139 where: short stacking energy: -31.021 Base-Backbone interact. energy: -0.001 local terms energy: -41.766841 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -9.311 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: 17 Temperature: 1.000000 Total energy: -108.751033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.751033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.751033 (E_RNA) where: Base-Base interactions energy: -73.655 where: short stacking energy: -30.646 Base-Backbone interact. energy: -0.013 local terms energy: -35.082624 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -10.345 flat angles C4'-P-C4' energy: -8.802 flat angles P-C4'-P energy: -0.853 tors. eta vs tors. theta energy: -7.419 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: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -107.658214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.658214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.658214 (E_RNA) where: Base-Base interactions energy: -75.471 where: short stacking energy: -28.234 Base-Backbone interact. energy: -0.012 local terms energy: -32.175172 where: bonds (distance) C4'-P energy: -8.864 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -1.751 tors. eta vs tors. theta energy: -6.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -104.769741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.769741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.769741 (E_RNA) where: Base-Base interactions energy: -67.500 where: short stacking energy: -30.788 Base-Backbone interact. energy: -0.045 local terms energy: -37.224871 where: bonds (distance) C4'-P energy: -7.957 bonds (distance) P-C4' energy: -7.304 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -62.856735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.856735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.856735 (E_RNA) where: Base-Base interactions energy: -32.060 where: short stacking energy: -16.784 Base-Backbone interact. energy: -0.015 local terms energy: -30.781979 where: bonds (distance) C4'-P energy: -8.359 bonds (distance) P-C4' energy: -8.844 flat angles C4'-P-C4' energy: -9.831 flat angles P-C4'-P energy: 1.344 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -55.168060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.168060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.168060 (E_RNA) where: Base-Base interactions energy: -19.413 where: short stacking energy: -15.957 Base-Backbone interact. energy: -0.151 local terms energy: -35.603476 where: bonds (distance) C4'-P energy: -5.698 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -9.546 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -4.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -54.182948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.182948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.182948 (E_RNA) where: Base-Base interactions energy: -21.145 where: short stacking energy: -14.998 Base-Backbone interact. energy: -0.090 local terms energy: -32.948623 where: bonds (distance) C4'-P energy: -6.795 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -9.499 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -60.903058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.903058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.903058 (E_RNA) where: Base-Base interactions energy: -26.749 where: short stacking energy: -25.478 Base-Backbone interact. energy: -0.065 local terms energy: -34.089158 where: bonds (distance) C4'-P energy: -8.107 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -51.600022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.600022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.600022 (E_RNA) where: Base-Base interactions energy: -24.154 where: short stacking energy: -17.167 Base-Backbone interact. energy: -0.007 local terms energy: -27.438899 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -120.310389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.310389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.310389 (E_RNA) where: Base-Base interactions energy: -78.665 where: short stacking energy: -35.284 Base-Backbone interact. energy: -0.176 local terms energy: -41.469424 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -10.064 flat angles C4'-P-C4' energy: -8.628 flat angles P-C4'-P energy: -7.761 tors. eta vs tors. theta energy: -5.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -114.565055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.565055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.565055 (E_RNA) where: Base-Base interactions energy: -75.686 where: short stacking energy: -33.848 Base-Backbone interact. energy: -0.008 local terms energy: -38.871375 where: bonds (distance) C4'-P energy: -6.021 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -9.529 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -9.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -117.714139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.714139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.714139 (E_RNA) where: Base-Base interactions energy: -74.160 where: short stacking energy: -37.773 Base-Backbone interact. energy: 0.311 local terms energy: -43.864913 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -9.900 flat angles P-C4'-P energy: -7.185 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: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -112.476702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.476702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.476702 (E_RNA) where: Base-Base interactions energy: -73.893 where: short stacking energy: -34.507 Base-Backbone interact. energy: -0.042 local terms energy: -38.540870 where: bonds (distance) C4'-P energy: -8.524 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -8.151 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: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -107.650840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.650840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.650840 (E_RNA) where: Base-Base interactions energy: -65.416 where: short stacking energy: -29.218 Base-Backbone interact. energy: -0.587 local terms energy: -41.647393 where: bonds (distance) C4'-P energy: -6.894 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -9.230 flat angles P-C4'-P energy: -6.654 tors. eta vs tors. theta energy: -8.254 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: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -59.664626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.664626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.664626 (E_RNA) where: Base-Base interactions energy: -27.970 where: short stacking energy: -17.534 Base-Backbone interact. energy: -0.234 local terms energy: -31.461044 where: bonds (distance) C4'-P energy: -8.429 bonds (distance) P-C4' energy: -10.137 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -1.006 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: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -60.650417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.650417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.650417 (E_RNA) where: Base-Base interactions energy: -23.024 where: short stacking energy: -22.174 Base-Backbone interact. energy: -0.193 local terms energy: -37.433569 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -1.345 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: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -47.694048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.694048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.694048 (E_RNA) where: Base-Base interactions energy: -18.627 where: short stacking energy: -12.067 Base-Backbone interact. energy: -0.009 local terms energy: -29.057834 where: bonds (distance) C4'-P energy: -5.648 bonds (distance) P-C4' energy: -9.478 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: 1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -55.740054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.740054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.740054 (E_RNA) where: Base-Base interactions energy: -23.172 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.020 local terms energy: -32.548172 where: bonds (distance) C4'-P energy: -6.198 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -47.796023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.796023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.796023 (E_RNA) where: Base-Base interactions energy: -16.407 where: short stacking energy: -16.284 Base-Backbone interact. energy: -0.096 local terms energy: -31.293831 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -6.598 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: 2 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -121.688203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.688203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.688203 (E_RNA) where: Base-Base interactions energy: -81.634 where: short stacking energy: -33.197 Base-Backbone interact. energy: -0.520 local terms energy: -39.534040 where: bonds (distance) C4'-P energy: -5.912 bonds (distance) P-C4' energy: -9.721 flat angles C4'-P-C4' energy: -10.245 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -9.728 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: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -111.358565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.358565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.358565 (E_RNA) where: Base-Base interactions energy: -73.273 where: short stacking energy: -29.757 Base-Backbone interact. energy: 0.878 local terms energy: -38.963234 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -6.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -116.887346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.887346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.887346 (E_RNA) where: Base-Base interactions energy: -81.892 where: short stacking energy: -34.542 Base-Backbone interact. energy: -0.000 local terms energy: -34.994830 where: bonds (distance) C4'-P energy: -4.758 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -8.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -109.507894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.507894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.507894 (E_RNA) where: Base-Base interactions energy: -66.868 where: short stacking energy: -30.873 Base-Backbone interact. energy: -0.779 local terms energy: -41.860968 where: bonds (distance) C4'-P energy: -8.524 bonds (distance) P-C4' energy: -8.641 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -6.381 tors. eta vs tors. theta energy: -8.354 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: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -110.892048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.892048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.892048 (E_RNA) where: Base-Base interactions energy: -73.742 where: short stacking energy: -32.161 Base-Backbone interact. energy: -0.528 local terms energy: -36.621439 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -61.493760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.493760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.493760 (E_RNA) where: Base-Base interactions energy: -35.868 where: short stacking energy: -16.405 Base-Backbone interact. energy: -0.573 local terms energy: -25.051852 where: bonds (distance) C4'-P energy: -7.143 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: 1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -54.856390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.856390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.856390 (E_RNA) where: Base-Base interactions energy: -22.067 where: short stacking energy: -20.077 Base-Backbone interact. energy: -0.008 local terms energy: -32.781723 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -6.684 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -5.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -52.405291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.405291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.405291 (E_RNA) where: Base-Base interactions energy: -21.815 where: short stacking energy: -19.851 Base-Backbone interact. energy: 0.911 local terms energy: -31.501977 where: bonds (distance) C4'-P energy: -8.811 bonds (distance) P-C4' energy: -9.077 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: 1.196 tors. eta vs tors. theta energy: -6.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -49.925338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.925338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.925338 (E_RNA) where: Base-Base interactions energy: -22.826 where: short stacking energy: -14.167 Base-Backbone interact. energy: -0.284 local terms energy: -26.816075 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: 1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -43.986014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.986014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.986014 (E_RNA) where: Base-Base interactions energy: -14.015 where: short stacking energy: -14.015 Base-Backbone interact. energy: 1.166 local terms energy: -31.137291 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -117.097687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.097687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.097687 (E_RNA) where: Base-Base interactions energy: -76.039 where: short stacking energy: -31.716 Base-Backbone interact. energy: -0.001 local terms energy: -41.058261 where: bonds (distance) C4'-P energy: -8.177 bonds (distance) P-C4' energy: -9.939 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -6.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -114.406696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.406696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.406696 (E_RNA) where: Base-Base interactions energy: -72.603 where: short stacking energy: -36.103 Base-Backbone interact. energy: -0.495 local terms energy: -41.308394 where: bonds (distance) C4'-P energy: -6.683 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -9.335 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -7.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -118.579075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.579075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.579075 (E_RNA) where: Base-Base interactions energy: -77.019 where: short stacking energy: -26.567 Base-Backbone interact. energy: -0.022 local terms energy: -41.537917 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -9.151 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -7.082 tors. eta vs tors. theta energy: -9.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -108.423340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.423340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.423340 (E_RNA) where: Base-Base interactions energy: -69.208 where: short stacking energy: -26.444 Base-Backbone interact. energy: -0.030 local terms energy: -39.185811 where: bonds (distance) C4'-P energy: -8.243 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -8.736 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -5.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -112.574664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.574664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.574664 (E_RNA) where: Base-Base interactions energy: -72.455 where: short stacking energy: -29.052 Base-Backbone interact. energy: -0.001 local terms energy: -40.119206 where: bonds (distance) C4'-P energy: -7.287 bonds (distance) P-C4' energy: -9.675 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -7.014 tors. eta vs tors. theta energy: -7.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -53.823129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.823129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.823129 (E_RNA) where: Base-Base interactions energy: -21.116 where: short stacking energy: -21.116 Base-Backbone interact. energy: -0.123 local terms energy: -32.583239 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -57.591086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.591086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.591086 (E_RNA) where: Base-Base interactions energy: -26.381 where: short stacking energy: -21.208 Base-Backbone interact. energy: -1.245 local terms energy: -29.965823 where: bonds (distance) C4'-P energy: -8.198 bonds (distance) P-C4' energy: -8.841 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -0.968 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: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -61.231937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.231937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.231937 (E_RNA) where: Base-Base interactions energy: -21.408 where: short stacking energy: -18.640 Base-Backbone interact. energy: -0.012 local terms energy: -39.812544 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -9.826 flat angles P-C4'-P energy: -7.561 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -56.610501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.610501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.610501 (E_RNA) where: Base-Base interactions energy: -21.971 where: short stacking energy: -17.878 Base-Backbone interact. energy: -0.161 local terms energy: -34.478134 where: bonds (distance) C4'-P energy: -8.240 bonds (distance) P-C4' energy: -8.820 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -50.037805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.037805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.037805 (E_RNA) where: Base-Base interactions energy: -14.218 where: short stacking energy: -14.218 Base-Backbone interact. energy: -0.000 local terms energy: -35.819892 where: bonds (distance) C4'-P energy: -7.702 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -119.369223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.369223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.369223 (E_RNA) where: Base-Base interactions energy: -71.882 where: short stacking energy: -29.030 Base-Backbone interact. energy: -0.399 local terms energy: -47.088007 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -10.067 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -8.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -116.892974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.892974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.892974 (E_RNA) where: Base-Base interactions energy: -79.617 where: short stacking energy: -29.368 Base-Backbone interact. energy: -0.696 local terms energy: -36.580684 where: bonds (distance) C4'-P energy: -8.033 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -10.458 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -116.234223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.234223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.234223 (E_RNA) where: Base-Base interactions energy: -75.046 where: short stacking energy: -32.906 Base-Backbone interact. energy: 0.573 local terms energy: -41.761264 where: bonds (distance) C4'-P energy: -8.297 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -8.397 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -9.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -114.345768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.345768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.345768 (E_RNA) where: Base-Base interactions energy: -71.655 where: short stacking energy: -31.048 Base-Backbone interact. energy: -0.654 local terms energy: -42.037113 where: bonds (distance) C4'-P energy: -9.370 bonds (distance) P-C4' energy: -10.032 flat angles C4'-P-C4' energy: -9.660 flat angles P-C4'-P energy: -6.099 tors. eta vs tors. theta energy: -6.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -109.628258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.628258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.628258 (E_RNA) where: Base-Base interactions energy: -67.809 where: short stacking energy: -26.060 Base-Backbone interact. energy: -0.196 local terms energy: -41.623794 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -9.647 flat angles C4'-P-C4' energy: -10.699 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -6.671 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: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -61.420077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.420077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.420077 (E_RNA) where: Base-Base interactions energy: -30.670 where: short stacking energy: -17.280 Base-Backbone interact. energy: 0.975 local terms energy: -31.725046 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -57.731038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.731038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.731038 (E_RNA) where: Base-Base interactions energy: -18.545 where: short stacking energy: -18.545 Base-Backbone interact. energy: -0.516 local terms energy: -38.669554 where: bonds (distance) C4'-P energy: -10.438 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -8.509 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -56.727219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.727219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.727219 (E_RNA) where: Base-Base interactions energy: -31.245 where: short stacking energy: -17.307 Base-Backbone interact. energy: -0.109 local terms energy: -25.373170 where: bonds (distance) C4'-P energy: -8.197 bonds (distance) P-C4' energy: -7.916 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: 1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -50.569884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.569884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.569884 (E_RNA) where: Base-Base interactions energy: -18.985 where: short stacking energy: -14.655 Base-Backbone interact. energy: -0.373 local terms energy: -31.212562 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -7.951 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -56.326969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.326969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.326969 (E_RNA) where: Base-Base interactions energy: -20.539 where: short stacking energy: -15.934 Base-Backbone interact. energy: -0.031 local terms energy: -35.756916 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -9.521 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -6.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -124.545935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.545935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.545935 (E_RNA) where: Base-Base interactions energy: -82.032 where: short stacking energy: -33.443 Base-Backbone interact. energy: -0.005 local terms energy: -42.508378 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -11.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -123.456718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.456718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.456718 (E_RNA) where: Base-Base interactions energy: -79.569 where: short stacking energy: -35.131 Base-Backbone interact. energy: -0.680 local terms energy: -43.208503 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -10.461 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -10.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -113.411850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.411850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.411850 (E_RNA) where: Base-Base interactions energy: -70.079 where: short stacking energy: -30.273 Base-Backbone interact. energy: 0.660 local terms energy: -43.992788 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -9.350 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -10.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -109.901083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.901083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.901083 (E_RNA) where: Base-Base interactions energy: -64.344 where: short stacking energy: -32.110 Base-Backbone interact. energy: -0.003 local terms energy: -45.554107 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -11.773 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: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -105.770332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.770332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.770332 (E_RNA) where: Base-Base interactions energy: -64.594 where: short stacking energy: -29.427 Base-Backbone interact. energy: -0.013 local terms energy: -41.162799 where: bonds (distance) C4'-P energy: -8.542 bonds (distance) P-C4' energy: -10.630 flat angles C4'-P-C4' energy: -9.120 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -7.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -59.594172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.594172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.594172 (E_RNA) where: Base-Base interactions energy: -26.334 where: short stacking energy: -15.652 Base-Backbone interact. energy: -0.070 local terms energy: -33.190633 where: bonds (distance) C4'-P energy: -7.806 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -9.381 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -59.660990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.660990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.660990 (E_RNA) where: Base-Base interactions energy: -24.597 where: short stacking energy: -24.597 Base-Backbone interact. energy: -1.413 local terms energy: -33.650852 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -3.042 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -6.819 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: 9 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -57.963933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.963933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.963933 (E_RNA) where: Base-Base interactions energy: -23.061 where: short stacking energy: -9.784 Base-Backbone interact. energy: -0.002 local terms energy: -34.901116 where: bonds (distance) C4'-P energy: -9.671 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -45.968397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.968397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.968397 (E_RNA) where: Base-Base interactions energy: -18.967 where: short stacking energy: -17.076 Base-Backbone interact. energy: 0.533 local terms energy: -27.534673 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.245 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -0.756 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: 22 Temperature: 1.350000 Total energy: -49.473062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.473062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.473062 (E_RNA) where: Base-Base interactions energy: -24.642 where: short stacking energy: -14.681 Base-Backbone interact. energy: -0.011 local terms energy: -24.820186 where: bonds (distance) C4'-P energy: -2.924 bonds (distance) P-C4' energy: -5.538 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -120.963585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.963585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.963585 (E_RNA) where: Base-Base interactions energy: -80.920 where: short stacking energy: -35.218 Base-Backbone interact. energy: -0.001 local terms energy: -40.041759 where: bonds (distance) C4'-P energy: -6.037 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -9.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -113.105698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.105698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.105698 (E_RNA) where: Base-Base interactions energy: -72.891 where: short stacking energy: -28.890 Base-Backbone interact. energy: -0.034 local terms energy: -40.180132 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -6.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -105.865111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.865111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.865111 (E_RNA) where: Base-Base interactions energy: -71.047 where: short stacking energy: -32.472 Base-Backbone interact. energy: -0.035 local terms energy: -34.783721 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -6.518 flat angles C4'-P-C4' energy: -8.988 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -7.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -108.098116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.098116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.098116 (E_RNA) where: Base-Base interactions energy: -71.175 where: short stacking energy: -25.454 Base-Backbone interact. energy: -0.156 local terms energy: -36.767358 where: bonds (distance) C4'-P energy: -8.604 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -7.991 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -102.844070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.844070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.844070 (E_RNA) where: Base-Base interactions energy: -64.085 where: short stacking energy: -26.140 Base-Backbone interact. energy: -0.083 local terms energy: -38.675726 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -6.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -55.826787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.826787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.826787 (E_RNA) where: Base-Base interactions energy: -23.259 where: short stacking energy: -8.744 Base-Backbone interact. energy: -0.928 local terms energy: -31.639621 where: bonds (distance) C4'-P energy: -5.979 bonds (distance) P-C4' energy: -10.200 flat angles C4'-P-C4' energy: -9.424 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: 1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -59.043014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.043014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.043014 (E_RNA) where: Base-Base interactions energy: -23.593 where: short stacking energy: -23.593 Base-Backbone interact. energy: -0.003 local terms energy: -35.447450 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -9.629 flat angles P-C4'-P energy: -2.630 tors. eta vs tors. theta energy: -4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -56.912069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.912069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.912069 (E_RNA) where: Base-Base interactions energy: -30.486 where: short stacking energy: -18.443 Base-Backbone interact. energy: -0.030 local terms energy: -26.396387 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -47.988572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.988572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.988572 (E_RNA) where: Base-Base interactions energy: -20.949 where: short stacking energy: -11.413 Base-Backbone interact. energy: -0.005 local terms energy: -27.034698 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.465 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: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -48.078893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.078893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.078893 (E_RNA) where: Base-Base interactions energy: -16.014 where: short stacking energy: -16.014 Base-Backbone interact. energy: -0.108 local terms energy: -31.956691 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -110.358232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.358232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.358232 (E_RNA) where: Base-Base interactions energy: -68.242 where: short stacking energy: -25.911 Base-Backbone interact. energy: -0.062 local terms energy: -42.054355 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -8.752 flat angles C4'-P-C4' energy: -9.789 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -7.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -122.730719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.730719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.730719 (E_RNA) where: Base-Base interactions energy: -85.116 where: short stacking energy: -34.812 Base-Backbone interact. energy: -0.001 local terms energy: -37.613455 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -8.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -112.144966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.144966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.144966 (E_RNA) where: Base-Base interactions energy: -70.400 where: short stacking energy: -28.711 Base-Backbone interact. energy: -0.100 local terms energy: -41.645226 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -9.139 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -8.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -112.812928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.812928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.812928 (E_RNA) where: Base-Base interactions energy: -73.914 where: short stacking energy: -31.246 Base-Backbone interact. energy: -0.062 local terms energy: -38.837205 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -9.173 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: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -107.311213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.311213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.311213 (E_RNA) where: Base-Base interactions energy: -68.896 where: short stacking energy: -30.728 Base-Backbone interact. energy: -0.360 local terms energy: -38.054891 where: bonds (distance) C4'-P energy: -8.658 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -9.832 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -58.717715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.717715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.717715 (E_RNA) where: Base-Base interactions energy: -24.596 where: short stacking energy: -21.952 Base-Backbone interact. energy: -0.150 local terms energy: -33.971828 where: bonds (distance) C4'-P energy: -7.597 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.609 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -51.295107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.295107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.295107 (E_RNA) where: Base-Base interactions energy: -13.244 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.004 local terms energy: -38.046901 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -9.843 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -56.323047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.323047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.323047 (E_RNA) where: Base-Base interactions energy: -31.025 where: short stacking energy: -16.834 Base-Backbone interact. energy: 0.956 local terms energy: -26.253933 where: bonds (distance) C4'-P energy: -7.487 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: 0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -52.541914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.541914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.541914 (E_RNA) where: Base-Base interactions energy: -20.634 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.001 local terms energy: -31.907633 where: bonds (distance) C4'-P energy: -9.279 bonds (distance) P-C4' energy: -9.834 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -51.748660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.748660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.748660 (E_RNA) where: Base-Base interactions energy: -16.090 where: short stacking energy: -13.190 Base-Backbone interact. energy: -0.300 local terms energy: -35.357942 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -10.205 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -0.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -119.222398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.222398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.222398 (E_RNA) where: Base-Base interactions energy: -91.856 where: short stacking energy: -35.985 Base-Backbone interact. energy: 0.095 local terms energy: -27.460822 where: bonds (distance) C4'-P energy: -5.107 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -123.495966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.495966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.495966 (E_RNA) where: Base-Base interactions energy: -85.742 where: short stacking energy: -31.819 Base-Backbone interact. energy: -0.013 local terms energy: -37.740577 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -9.104 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -112.904247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.904247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.904247 (E_RNA) where: Base-Base interactions energy: -77.096 where: short stacking energy: -26.722 Base-Backbone interact. energy: -0.009 local terms energy: -35.799169 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -7.730 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -0.547 tors. eta vs tors. theta energy: -12.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -105.231710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.231710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.231710 (E_RNA) where: Base-Base interactions energy: -67.706 where: short stacking energy: -28.166 Base-Backbone interact. energy: -0.411 local terms energy: -37.114850 where: bonds (distance) C4'-P energy: -7.719 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -108.082861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.082861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.082861 (E_RNA) where: Base-Base interactions energy: -77.513 where: short stacking energy: -29.256 Base-Backbone interact. energy: 0.859 local terms energy: -31.429282 where: bonds (distance) C4'-P energy: -8.986 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -1.438 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -58.741987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.741987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.741987 (E_RNA) where: Base-Base interactions energy: -23.449 where: short stacking energy: -23.449 Base-Backbone interact. energy: -0.192 local terms energy: -35.100423 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -9.581 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -57.467930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.467930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.467930 (E_RNA) where: Base-Base interactions energy: -23.396 where: short stacking energy: -20.116 Base-Backbone interact. energy: -0.009 local terms energy: -34.063073 where: bonds (distance) C4'-P energy: -8.679 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -6.276 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -59.265771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.265771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.265771 (E_RNA) where: Base-Base interactions energy: -26.101 where: short stacking energy: -26.101 Base-Backbone interact. energy: -0.001 local terms energy: -33.163674 where: bonds (distance) C4'-P energy: -3.958 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -8.792 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: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -48.247522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.247522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.247522 (E_RNA) where: Base-Base interactions energy: -16.750 where: short stacking energy: -16.750 Base-Backbone interact. energy: -0.087 local terms energy: -31.410908 where: bonds (distance) C4'-P energy: -5.640 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -71.808957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.808957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.808957 (E_RNA) where: Base-Base interactions energy: -42.371 where: short stacking energy: -18.276 Base-Backbone interact. energy: -0.072 local terms energy: -29.366491 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -118.355462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.355462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.355462 (E_RNA) where: Base-Base interactions energy: -76.704 where: short stacking energy: -30.289 Base-Backbone interact. energy: -1.070 local terms energy: -40.581444 where: bonds (distance) C4'-P energy: -9.722 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -10.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -112.109788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.109788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.109788 (E_RNA) where: Base-Base interactions energy: -70.539 where: short stacking energy: -31.379 Base-Backbone interact. energy: -0.003 local terms energy: -41.568004 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -9.637 flat angles C4'-P-C4' energy: -9.018 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -9.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -111.640382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.640382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.640382 (E_RNA) where: Base-Base interactions energy: -80.117 where: short stacking energy: -29.777 Base-Backbone interact. energy: -0.117 local terms energy: -31.406325 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -2.722 tors. eta vs tors. theta energy: -7.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -107.973189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.973189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.973189 (E_RNA) where: Base-Base interactions energy: -72.588 where: short stacking energy: -31.132 Base-Backbone interact. energy: -0.071 local terms energy: -35.314104 where: bonds (distance) C4'-P energy: -7.809 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -5.117 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: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -103.907634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.907634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.907634 (E_RNA) where: Base-Base interactions energy: -73.997 where: short stacking energy: -29.377 Base-Backbone interact. energy: 0.023 local terms energy: -29.933613 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -10.588 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -0.564 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -62.078057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.078057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.078057 (E_RNA) where: Base-Base interactions energy: -22.955 where: short stacking energy: -22.955 Base-Backbone interact. energy: -0.000 local terms energy: -39.123047 where: bonds (distance) C4'-P energy: -8.136 bonds (distance) P-C4' energy: -7.844 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -8.762 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: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -64.610409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.610409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.610409 (E_RNA) where: Base-Base interactions energy: -30.779 where: short stacking energy: -21.240 Base-Backbone interact. energy: -0.160 local terms energy: -33.671023 where: bonds (distance) C4'-P energy: -7.793 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -50.871860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.871860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.871860 (E_RNA) where: Base-Base interactions energy: -22.338 where: short stacking energy: -10.821 Base-Backbone interact. energy: -0.126 local terms energy: -28.406917 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -9.978 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: 1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -73.397869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.397869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.397869 (E_RNA) where: Base-Base interactions energy: -38.315 where: short stacking energy: -23.540 Base-Backbone interact. energy: -0.064 local terms energy: -35.019263 where: bonds (distance) C4'-P energy: -4.932 bonds (distance) P-C4' energy: -7.218 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -9.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -47.455352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.455352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.455352 (E_RNA) where: Base-Base interactions energy: -17.384 where: short stacking energy: -8.042 Base-Backbone interact. energy: -0.155 local terms energy: -29.916360 where: bonds (distance) C4'-P energy: -8.658 bonds (distance) P-C4' energy: -8.948 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: 4.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -115.431349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.431349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.431349 (E_RNA) where: Base-Base interactions energy: -76.409 where: short stacking energy: -29.138 Base-Backbone interact. energy: -0.123 local terms energy: -38.899843 where: bonds (distance) C4'-P energy: -7.607 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -8.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -117.417825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.417825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.417825 (E_RNA) where: Base-Base interactions energy: -75.206 where: short stacking energy: -38.379 Base-Backbone interact. energy: -1.971 local terms energy: -40.240202 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -10.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -113.542758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.542758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.542758 (E_RNA) where: Base-Base interactions energy: -72.049 where: short stacking energy: -29.505 Base-Backbone interact. energy: -0.495 local terms energy: -40.997986 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -9.904 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -8.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -113.382068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.382068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.382068 (E_RNA) where: Base-Base interactions energy: -69.063 where: short stacking energy: -28.577 Base-Backbone interact. energy: -0.077 local terms energy: -44.241470 where: bonds (distance) C4'-P energy: -7.953 bonds (distance) P-C4' energy: -9.429 flat angles C4'-P-C4' energy: -8.872 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -10.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -103.363330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.363330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.363330 (E_RNA) where: Base-Base interactions energy: -71.516 where: short stacking energy: -29.479 Base-Backbone interact. energy: -0.767 local terms energy: -31.079983 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -7.264 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -5.455 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: 8 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -74.056018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.056018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.056018 (E_RNA) where: Base-Base interactions energy: -37.043 where: short stacking energy: -15.326 Base-Backbone interact. energy: -0.291 local terms energy: -36.721888 where: bonds (distance) C4'-P energy: -8.621 bonds (distance) P-C4' energy: -10.917 flat angles C4'-P-C4' energy: -9.744 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -55.437392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.437392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.437392 (E_RNA) where: Base-Base interactions energy: -23.339 where: short stacking energy: -22.230 Base-Backbone interact. energy: -0.027 local terms energy: -32.071655 where: bonds (distance) C4'-P energy: -7.459 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -6.183 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -52.626229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.626229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.626229 (E_RNA) where: Base-Base interactions energy: -19.328 where: short stacking energy: -15.403 Base-Backbone interact. energy: -0.172 local terms energy: -33.126550 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -10.032 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -52.045939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.045939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.045939 (E_RNA) where: Base-Base interactions energy: -20.285 where: short stacking energy: -20.285 Base-Backbone interact. energy: -0.166 local terms energy: -31.594846 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -9.460 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -52.475380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.475380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.475380 (E_RNA) where: Base-Base interactions energy: -19.847 where: short stacking energy: -14.023 Base-Backbone interact. energy: -0.117 local terms energy: -32.511776 where: bonds (distance) C4'-P energy: -8.322 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: 0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -121.895199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.895199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.895199 (E_RNA) where: Base-Base interactions energy: -81.641 where: short stacking energy: -33.378 Base-Backbone interact. energy: -0.000 local terms energy: -40.253931 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -10.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -109.750436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.750436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.750436 (E_RNA) where: Base-Base interactions energy: -68.253 where: short stacking energy: -26.105 Base-Backbone interact. energy: -0.002 local terms energy: -41.495747 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -9.661 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: -7.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -112.267512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.267512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.267512 (E_RNA) where: Base-Base interactions energy: -70.575 where: short stacking energy: -35.735 Base-Backbone interact. energy: -0.001 local terms energy: -41.692330 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -5.961 tors. eta vs tors. theta energy: -10.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -106.696655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.696655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.696655 (E_RNA) where: Base-Base interactions energy: -67.723 where: short stacking energy: -28.421 Base-Backbone interact. energy: -0.106 local terms energy: -38.868018 where: bonds (distance) C4'-P energy: -9.399 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -7.559 tors. eta vs tors. theta energy: -4.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -105.110894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.110894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.110894 (E_RNA) where: Base-Base interactions energy: -68.530 where: short stacking energy: -30.496 Base-Backbone interact. energy: -0.001 local terms energy: -36.580312 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -7.487 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -7.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -57.315511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.315511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.315511 (E_RNA) where: Base-Base interactions energy: -23.315 where: short stacking energy: -23.315 Base-Backbone interact. energy: -0.002 local terms energy: -33.998544 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -62.551900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.551900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.551900 (E_RNA) where: Base-Base interactions energy: -28.384 where: short stacking energy: -15.194 Base-Backbone interact. energy: 0.227 local terms energy: -34.395755 where: bonds (distance) C4'-P energy: -8.294 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -6.918 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -53.649449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.649449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.649449 (E_RNA) where: Base-Base interactions energy: -20.359 where: short stacking energy: -15.955 Base-Backbone interact. energy: -0.015 local terms energy: -33.275439 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: 1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -49.482540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.482540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.482540 (E_RNA) where: Base-Base interactions energy: -23.593 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.219 local terms energy: -25.670971 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: 3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -48.105950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.105950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.105950 (E_RNA) where: Base-Base interactions energy: -31.913 where: short stacking energy: -10.304 Base-Backbone interact. energy: -1.255 local terms energy: -14.937655 where: bonds (distance) C4'-P energy: -7.441 bonds (distance) P-C4' energy: -5.429 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -0.209 tors. eta vs tors. theta energy: 5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -119.343038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.343038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.343038 (E_RNA) where: Base-Base interactions energy: -76.694 where: short stacking energy: -32.823 Base-Backbone interact. energy: -0.074 local terms energy: -42.574827 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -8.945 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -10.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -113.622791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.622791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.622791 (E_RNA) where: Base-Base interactions energy: -78.479 where: short stacking energy: -31.388 Base-Backbone interact. energy: -0.001 local terms energy: -35.143410 where: bonds (distance) C4'-P energy: -6.960 bonds (distance) P-C4' energy: -8.399 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -7.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -107.374334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.374334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.374334 (E_RNA) where: Base-Base interactions energy: -72.573 where: short stacking energy: -31.299 Base-Backbone interact. energy: -0.102 local terms energy: -34.698666 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -5.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -105.913620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.913620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.913620 (E_RNA) where: Base-Base interactions energy: -65.706 where: short stacking energy: -29.321 Base-Backbone interact. energy: -0.002 local terms energy: -40.206499 where: bonds (distance) C4'-P energy: -6.617 bonds (distance) P-C4' energy: -9.048 flat angles C4'-P-C4' energy: -9.354 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -6.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -107.609653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.609653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.609653 (E_RNA) where: Base-Base interactions energy: -66.270 where: short stacking energy: -27.038 Base-Backbone interact. energy: -0.008 local terms energy: -41.331492 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -10.855 flat angles C4'-P-C4' energy: -8.891 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -6.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -64.318934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.318934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.318934 (E_RNA) where: Base-Base interactions energy: -32.889 where: short stacking energy: -19.142 Base-Backbone interact. energy: -0.148 local terms energy: -31.282056 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -10.404 flat angles C4'-P-C4' energy: -3.790 flat angles P-C4'-P energy: -6.957 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -57.025637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.025637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.025637 (E_RNA) where: Base-Base interactions energy: -25.648 where: short stacking energy: -17.937 Base-Backbone interact. energy: 0.035 local terms energy: -31.412969 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: 0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -59.579195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.579195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.579195 (E_RNA) where: Base-Base interactions energy: -25.780 where: short stacking energy: -25.780 Base-Backbone interact. energy: -0.001 local terms energy: -33.798036 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -5.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -54.601720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.601720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.601720 (E_RNA) where: Base-Base interactions energy: -18.772 where: short stacking energy: -17.637 Base-Backbone interact. energy: -0.084 local terms energy: -35.746453 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -6.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -63.474024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.474024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.474024 (E_RNA) where: Base-Base interactions energy: -34.148 where: short stacking energy: -19.583 Base-Backbone interact. energy: -0.001 local terms energy: -29.325214 where: bonds (distance) C4'-P energy: -5.462 bonds (distance) P-C4' energy: -8.534 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -108.307505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.307505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.307505 (E_RNA) where: Base-Base interactions energy: -68.092 where: short stacking energy: -28.897 Base-Backbone interact. energy: -1.361 local terms energy: -38.854766 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -9.478 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -7.909 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -108.176605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.176605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.176605 (E_RNA) where: Base-Base interactions energy: -75.775 where: short stacking energy: -31.210 Base-Backbone interact. energy: 1.066 local terms energy: -33.466799 where: bonds (distance) C4'-P energy: -6.045 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -10.261 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -6.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -114.226736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.226736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.226736 (E_RNA) where: Base-Base interactions energy: -74.477 where: short stacking energy: -30.938 Base-Backbone interact. energy: -0.000 local terms energy: -39.748955 where: bonds (distance) C4'-P energy: -8.340 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -8.888 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: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -108.404721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.404721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.404721 (E_RNA) where: Base-Base interactions energy: -67.826 where: short stacking energy: -29.777 Base-Backbone interact. energy: 0.191 local terms energy: -40.769727 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -9.982 flat angles C4'-P-C4' energy: -9.504 flat angles P-C4'-P energy: -7.325 tors. eta vs tors. theta energy: -4.573 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: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -116.900112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.900112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.900112 (E_RNA) where: Base-Base interactions energy: -75.107 where: short stacking energy: -30.970 Base-Backbone interact. energy: -0.001 local terms energy: -41.791517 where: bonds (distance) C4'-P energy: -8.368 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -9.427 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -10.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -60.670643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.670643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.670643 (E_RNA) where: Base-Base interactions energy: -25.934 where: short stacking energy: -20.801 Base-Backbone interact. energy: -0.158 local terms energy: -34.578400 where: bonds (distance) C4'-P energy: -7.570 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -56.448575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.448575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.448575 (E_RNA) where: Base-Base interactions energy: -23.850 where: short stacking energy: -23.850 Base-Backbone interact. energy: -0.000 local terms energy: -32.598323 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -10.129 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -55.611031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.611031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.611031 (E_RNA) where: Base-Base interactions energy: -21.612 where: short stacking energy: -16.285 Base-Backbone interact. energy: -0.102 local terms energy: -33.896821 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -10.127 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -47.100628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.100628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.100628 (E_RNA) where: Base-Base interactions energy: -18.137 where: short stacking energy: -18.137 Base-Backbone interact. energy: -0.135 local terms energy: -28.828980 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -9.069 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -46.439876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.439876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.439876 (E_RNA) where: Base-Base interactions energy: -15.832 where: short stacking energy: -15.832 Base-Backbone interact. energy: -0.103 local terms energy: -30.504494 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.796 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -6.940 tors. eta vs tors. theta energy: -1.627 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: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -117.392083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.392083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.392083 (E_RNA) where: Base-Base interactions energy: -73.193 where: short stacking energy: -32.475 Base-Backbone interact. energy: -0.000 local terms energy: -44.199389 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -9.561 flat angles C4'-P-C4' energy: -9.281 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -9.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -122.406034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.406034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.406034 (E_RNA) where: Base-Base interactions energy: -82.982 where: short stacking energy: -29.250 Base-Backbone interact. energy: -0.012 local terms energy: -39.411341 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -9.669 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -9.488 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: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -109.022162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.022162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.022162 (E_RNA) where: Base-Base interactions energy: -68.987 where: short stacking energy: -29.309 Base-Backbone interact. energy: -0.073 local terms energy: -39.962043 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -8.086 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: -9.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -110.342021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.342021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.342021 (E_RNA) where: Base-Base interactions energy: -65.615 where: short stacking energy: -28.531 Base-Backbone interact. energy: -0.002 local terms energy: -44.725383 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -8.410 flat angles C4'-P-C4' energy: -9.393 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -9.279 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: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -111.479554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.479554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.479554 (E_RNA) where: Base-Base interactions energy: -77.832 where: short stacking energy: -28.401 Base-Backbone interact. energy: -0.026 local terms energy: -33.621624 where: bonds (distance) C4'-P energy: -7.988 bonds (distance) P-C4' energy: -7.852 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -56.803093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.803093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.803093 (E_RNA) where: Base-Base interactions energy: -29.750 where: short stacking energy: -16.309 Base-Backbone interact. energy: -0.025 local terms energy: -27.027430 where: bonds (distance) C4'-P energy: -4.878 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: -3.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -59.333154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.333154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.333154 (E_RNA) where: Base-Base interactions energy: -30.988 where: short stacking energy: -16.865 Base-Backbone interact. energy: -0.001 local terms energy: -28.344010 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -8.234 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -49.964282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.964282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.964282 (E_RNA) where: Base-Base interactions energy: -18.550 where: short stacking energy: -18.550 Base-Backbone interact. energy: -0.061 local terms energy: -31.353701 where: bonds (distance) C4'-P energy: -5.064 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -56.459609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.459609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.459609 (E_RNA) where: Base-Base interactions energy: -21.543 where: short stacking energy: -11.990 Base-Backbone interact. energy: -0.985 local terms energy: -33.932019 where: bonds (distance) C4'-P energy: -8.405 bonds (distance) P-C4' energy: -8.957 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -7.129 tors. eta vs tors. theta energy: -3.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -50.524005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.524005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.524005 (E_RNA) where: Base-Base interactions energy: -17.744 where: short stacking energy: -17.744 Base-Backbone interact. energy: -0.039 local terms energy: -32.741266 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -3.416 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -4.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -129.956133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.956133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.956133 (E_RNA) where: Base-Base interactions energy: -82.846 where: short stacking energy: -35.871 Base-Backbone interact. energy: -1.046 local terms energy: -46.063821 where: bonds (distance) C4'-P energy: -9.619 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -9.660 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -8.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -113.766058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.766058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.766058 (E_RNA) where: Base-Base interactions energy: -69.019 where: short stacking energy: -30.202 Base-Backbone interact. energy: -0.000 local terms energy: -44.746361 where: bonds (distance) C4'-P energy: -8.800 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -10.320 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: -10.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -113.265348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.265348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.265348 (E_RNA) where: Base-Base interactions energy: -75.264 where: short stacking energy: -29.405 Base-Backbone interact. energy: -0.007 local terms energy: -37.994029 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -7.718 flat angles C4'-P-C4' energy: -9.586 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -5.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -112.256266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.256266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.256266 (E_RNA) where: Base-Base interactions energy: -81.095 where: short stacking energy: -28.008 Base-Backbone interact. energy: 0.771 local terms energy: -31.932475 where: bonds (distance) C4'-P energy: -9.088 bonds (distance) P-C4' energy: -8.297 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -114.391768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.391768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.391768 (E_RNA) where: Base-Base interactions energy: -78.807 where: short stacking energy: -34.421 Base-Backbone interact. energy: -0.005 local terms energy: -35.580416 where: bonds (distance) C4'-P energy: -10.003 bonds (distance) P-C4' energy: -9.358 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -86.414368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.414368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.414368 (E_RNA) where: Base-Base interactions energy: -57.851 where: short stacking energy: -15.860 Base-Backbone interact. energy: -0.006 local terms energy: -28.557535 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -8.490 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -52.147538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.147538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.147538 (E_RNA) where: Base-Base interactions energy: -16.376 where: short stacking energy: -16.376 Base-Backbone interact. energy: -0.058 local terms energy: -35.713182 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -51.939592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.939592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.939592 (E_RNA) where: Base-Base interactions energy: -18.381 where: short stacking energy: -17.990 Base-Backbone interact. energy: -0.004 local terms energy: -33.554870 where: bonds (distance) C4'-P energy: -7.619 bonds (distance) P-C4' energy: -8.727 flat angles C4'-P-C4' energy: -9.074 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -44.348042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.348042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.348042 (E_RNA) where: Base-Base interactions energy: -16.298 where: short stacking energy: -16.298 Base-Backbone interact. energy: -0.023 local terms energy: -28.026771 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -7.537 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -52.675832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.675832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.675832 (E_RNA) where: Base-Base interactions energy: -17.759 where: short stacking energy: -17.759 Base-Backbone interact. energy: -0.031 local terms energy: -34.885347 where: bonds (distance) C4'-P energy: -8.252 bonds (distance) P-C4' energy: -9.757 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -121.871498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.871498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.871498 (E_RNA) where: Base-Base interactions energy: -83.952 where: short stacking energy: -32.425 Base-Backbone interact. energy: -0.015 local terms energy: -37.904310 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -10.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -112.624509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.624509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.624509 (E_RNA) where: Base-Base interactions energy: -77.946 where: short stacking energy: -30.057 Base-Backbone interact. energy: -0.115 local terms energy: -34.563603 where: bonds (distance) C4'-P energy: -6.135 bonds (distance) P-C4' energy: -9.343 flat angles C4'-P-C4' energy: -8.926 flat angles P-C4'-P energy: -1.048 tors. eta vs tors. theta energy: -9.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -120.126294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.126294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.126294 (E_RNA) where: Base-Base interactions energy: -81.355 where: short stacking energy: -31.127 Base-Backbone interact. energy: -0.012 local terms energy: -38.759286 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -111.190598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.190598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.190598 (E_RNA) where: Base-Base interactions energy: -69.754 where: short stacking energy: -32.006 Base-Backbone interact. energy: -0.190 local terms energy: -41.246742 where: bonds (distance) C4'-P energy: -8.906 bonds (distance) P-C4' energy: -9.086 flat angles C4'-P-C4' energy: -9.081 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -6.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -104.458692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.458692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.458692 (E_RNA) where: Base-Base interactions energy: -63.049 where: short stacking energy: -24.992 Base-Backbone interact. energy: -0.022 local terms energy: -41.387368 where: bonds (distance) C4'-P energy: -9.717 bonds (distance) P-C4' energy: -9.771 flat angles C4'-P-C4' energy: -9.616 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -8.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -105.659659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.659659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.659659 (E_RNA) where: Base-Base interactions energy: -74.528 where: short stacking energy: -26.484 Base-Backbone interact. energy: -1.015 local terms energy: -30.116416 where: bonds (distance) C4'-P energy: -0.698 bonds (distance) P-C4' energy: -8.721 flat angles C4'-P-C4' energy: -10.410 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -50.008537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.008537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.008537 (E_RNA) where: Base-Base interactions energy: -18.201 where: short stacking energy: -18.201 Base-Backbone interact. energy: -0.005 local terms energy: -31.801897 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -10.687 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -58.720194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.720194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.720194 (E_RNA) where: Base-Base interactions energy: -22.661 where: short stacking energy: -20.962 Base-Backbone interact. energy: -0.918 local terms energy: -35.141359 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -7.304 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: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -50.197626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.197626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.197626 (E_RNA) where: Base-Base interactions energy: -17.004 where: short stacking energy: -17.004 Base-Backbone interact. energy: -0.105 local terms energy: -33.088614 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -51.065536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.065536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.065536 (E_RNA) where: Base-Base interactions energy: -17.714 where: short stacking energy: -17.714 Base-Backbone interact. energy: -0.047 local terms energy: -33.304845 where: bonds (distance) C4'-P energy: -9.151 bonds (distance) P-C4' energy: -10.230 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -122.426356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.426356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.426356 (E_RNA) where: Base-Base interactions energy: -83.173 where: short stacking energy: -34.659 Base-Backbone interact. energy: -0.002 local terms energy: -39.251855 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -8.085 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -8.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -113.345894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.345894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.345894 (E_RNA) where: Base-Base interactions energy: -69.525 where: short stacking energy: -27.790 Base-Backbone interact. energy: -0.811 local terms energy: -43.010301 where: bonds (distance) C4'-P energy: -9.122 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -9.517 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -113.040375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.040375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.040375 (E_RNA) where: Base-Base interactions energy: -80.169 where: short stacking energy: -34.374 Base-Backbone interact. energy: -0.381 local terms energy: -32.490279 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -9.979 flat angles C4'-P-C4' energy: -9.845 flat angles P-C4'-P energy: -1.457 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -105.548993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.548993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.548993 (E_RNA) where: Base-Base interactions energy: -67.912 where: short stacking energy: -27.658 Base-Backbone interact. energy: -0.035 local terms energy: -37.601859 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -10.431 flat angles P-C4'-P energy: -5.927 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -107.606080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.606080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.606080 (E_RNA) where: Base-Base interactions energy: -69.877 where: short stacking energy: -26.245 Base-Backbone interact. energy: -0.033 local terms energy: -37.696232 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -9.253 flat angles C4'-P-C4' energy: -10.039 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -5.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -112.118354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.118354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.118354 (E_RNA) where: Base-Base interactions energy: -75.684 where: short stacking energy: -30.559 Base-Backbone interact. energy: 0.723 local terms energy: -37.156902 where: bonds (distance) C4'-P energy: -9.789 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -2.058 tors. eta vs tors. theta energy: -7.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -52.120789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.120789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.120789 (E_RNA) where: Base-Base interactions energy: -22.731 where: short stacking energy: -22.731 Base-Backbone interact. energy: -0.210 local terms energy: -29.179723 where: bonds (distance) C4'-P energy: -7.524 bonds (distance) P-C4' energy: -4.717 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -6.578 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -55.724598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.724598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.724598 (E_RNA) where: Base-Base interactions energy: -22.223 where: short stacking energy: -18.499 Base-Backbone interact. energy: -0.005 local terms energy: -33.496536 where: bonds (distance) C4'-P energy: -7.677 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -44.997797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.997797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.997797 (E_RNA) where: Base-Base interactions energy: -14.273 where: short stacking energy: -11.256 Base-Backbone interact. energy: -0.134 local terms energy: -30.590633 where: bonds (distance) C4'-P energy: -6.539 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -9.411 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -56.332398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.332398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.332398 (E_RNA) where: Base-Base interactions energy: -25.601 where: short stacking energy: -25.601 Base-Backbone interact. energy: -0.065 local terms energy: -30.666380 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -5.965 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -114.237822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.237822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.237822 (E_RNA) where: Base-Base interactions energy: -74.118 where: short stacking energy: -34.415 Base-Backbone interact. energy: -0.004 local terms energy: -40.116367 where: bonds (distance) C4'-P energy: -7.718 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -9.160 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: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -114.520210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.520210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.520210 (E_RNA) where: Base-Base interactions energy: -72.577 where: short stacking energy: -31.876 Base-Backbone interact. energy: -0.012 local terms energy: -41.931083 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -8.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -113.225883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.225883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.225883 (E_RNA) where: Base-Base interactions energy: -72.613 where: short stacking energy: -32.351 Base-Backbone interact. energy: -0.400 local terms energy: -40.212707 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -8.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -107.901908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.901908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.901908 (E_RNA) where: Base-Base interactions energy: -70.603 where: short stacking energy: -34.239 Base-Backbone interact. energy: -0.002 local terms energy: -37.296201 where: bonds (distance) C4'-P energy: -6.058 bonds (distance) P-C4' energy: -8.346 flat angles C4'-P-C4' energy: -9.229 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -6.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -115.362406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.362406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.362406 (E_RNA) where: Base-Base interactions energy: -69.981 where: short stacking energy: -26.840 Base-Backbone interact. energy: -0.809 local terms energy: -44.572031 where: bonds (distance) C4'-P energy: -7.793 bonds (distance) P-C4' energy: -9.379 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -11.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -104.133182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.133182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.133182 (E_RNA) where: Base-Base interactions energy: -65.844 where: short stacking energy: -25.934 Base-Backbone interact. energy: -0.074 local terms energy: -38.215069 where: bonds (distance) C4'-P energy: -8.421 bonds (distance) P-C4' energy: -9.985 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -62.496033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.496033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.496033 (E_RNA) where: Base-Base interactions energy: -23.284 where: short stacking energy: -23.284 Base-Backbone interact. energy: -0.452 local terms energy: -38.759902 where: bonds (distance) C4'-P energy: -7.159 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -9.505 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -7.770 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: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -60.731910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.731910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.731910 (E_RNA) where: Base-Base interactions energy: -31.664 where: short stacking energy: -15.506 Base-Backbone interact. energy: -0.250 local terms energy: -28.817812 where: bonds (distance) C4'-P energy: -7.569 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -53.527212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.527212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.527212 (E_RNA) where: Base-Base interactions energy: -19.490 where: short stacking energy: -19.490 Base-Backbone interact. energy: -0.073 local terms energy: -33.964379 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -6.638 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -53.349676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.349676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.349676 (E_RNA) where: Base-Base interactions energy: -15.955 where: short stacking energy: -13.050 Base-Backbone interact. energy: -0.015 local terms energy: -37.380338 where: bonds (distance) C4'-P energy: -8.802 bonds (distance) P-C4' energy: -10.064 flat angles C4'-P-C4' energy: -9.158 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -4.259 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: 36 Temperature: 0.900000 Total energy: -117.801986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.801986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.801986 (E_RNA) where: Base-Base interactions energy: -79.243 where: short stacking energy: -33.022 Base-Backbone interact. energy: -0.010 local terms energy: -38.548039 where: bonds (distance) C4'-P energy: -8.392 bonds (distance) P-C4' energy: -7.819 flat angles C4'-P-C4' energy: -9.585 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -10.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -115.346251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.346251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.346251 (E_RNA) where: Base-Base interactions energy: -76.635 where: short stacking energy: -33.962 Base-Backbone interact. energy: -0.094 local terms energy: -38.617981 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -9.662 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -8.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -110.419788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.419788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.419788 (E_RNA) where: Base-Base interactions energy: -66.912 where: short stacking energy: -29.083 Base-Backbone interact. energy: -1.019 local terms energy: -42.489224 where: bonds (distance) C4'-P energy: -9.374 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -9.005 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -8.281 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: 5 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -104.972427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.972427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.972427 (E_RNA) where: Base-Base interactions energy: -63.191 where: short stacking energy: -25.484 Base-Backbone interact. energy: -0.674 local terms energy: -41.107764 where: bonds (distance) C4'-P energy: -8.223 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -6.905 tors. eta vs tors. theta energy: -6.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -104.736385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.736385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.736385 (E_RNA) where: Base-Base interactions energy: -65.497 where: short stacking energy: -26.430 Base-Backbone interact. energy: -1.439 local terms energy: -37.800573 where: bonds (distance) C4'-P energy: -9.324 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -9.440 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -5.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -99.421153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.421153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.421153 (E_RNA) where: Base-Base interactions energy: -69.633 where: short stacking energy: -28.282 Base-Backbone interact. energy: -0.016 local terms energy: -29.772181 where: bonds (distance) C4'-P energy: -8.774 bonds (distance) P-C4' energy: -7.451 flat angles C4'-P-C4' energy: -8.367 flat angles P-C4'-P energy: 0.816 tors. eta vs tors. theta energy: -5.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -72.604301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.604301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.604301 (E_RNA) where: Base-Base interactions energy: -44.618 where: short stacking energy: -18.569 Base-Backbone interact. energy: -0.073 local terms energy: -27.912958 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -2.834 flat angles C4'-P-C4' energy: -8.357 flat angles P-C4'-P energy: -1.871 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -52.409918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.409918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.409918 (E_RNA) where: Base-Base interactions energy: -21.126 where: short stacking energy: -15.777 Base-Backbone interact. energy: 0.886 local terms energy: -32.170066 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -54.966908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.966908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.966908 (E_RNA) where: Base-Base interactions energy: -27.567 where: short stacking energy: -15.825 Base-Backbone interact. energy: -0.628 local terms energy: -26.772018 where: bonds (distance) C4'-P energy: -8.492 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -1.129 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -44.006198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.006198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.006198 (E_RNA) where: Base-Base interactions energy: -14.178 where: short stacking energy: -14.178 Base-Backbone interact. energy: -0.047 local terms energy: -29.781798 where: bonds (distance) C4'-P energy: -8.728 bonds (distance) P-C4' energy: -10.913 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -1.933 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: 37 Temperature: 0.900000 Total energy: -117.506980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.506980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.506980 (E_RNA) where: Base-Base interactions energy: -79.326 where: short stacking energy: -33.931 Base-Backbone interact. energy: -0.000 local terms energy: -38.180396 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -6.117 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -9.758 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: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -108.250249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.250249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.250249 (E_RNA) where: Base-Base interactions energy: -71.146 where: short stacking energy: -27.635 Base-Backbone interact. energy: -0.000 local terms energy: -37.103389 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -11.349 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -109.947310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.947310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.947310 (E_RNA) where: Base-Base interactions energy: -66.497 where: short stacking energy: -23.161 Base-Backbone interact. energy: -1.415 local terms energy: -42.035119 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -9.913 flat angles P-C4'-P energy: -7.983 tors. eta vs tors. theta energy: -3.584 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: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -108.844040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.844040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.844040 (E_RNA) where: Base-Base interactions energy: -71.230 where: short stacking energy: -32.450 Base-Backbone interact. energy: -0.244 local terms energy: -37.370067 where: bonds (distance) C4'-P energy: -6.555 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -7.833 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: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -106.039706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.039706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.039706 (E_RNA) where: Base-Base interactions energy: -66.854 where: short stacking energy: -26.537 Base-Backbone interact. energy: -1.023 local terms energy: -38.162493 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -8.289 tors. eta vs tors. theta energy: -5.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -53.621959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.621959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.621959 (E_RNA) where: Base-Base interactions energy: -23.010 where: short stacking energy: -10.053 Base-Backbone interact. energy: -0.224 local terms energy: -30.387916 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -9.337 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: 1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -103.149143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.149143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.149143 (E_RNA) where: Base-Base interactions energy: -63.286 where: short stacking energy: -20.416 Base-Backbone interact. energy: -0.207 local terms energy: -39.656370 where: bonds (distance) C4'-P energy: -8.550 bonds (distance) P-C4' energy: -10.811 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -6.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -59.119025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.119025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.119025 (E_RNA) where: Base-Base interactions energy: -25.262 where: short stacking energy: -12.396 Base-Backbone interact. energy: -0.064 local terms energy: -33.793555 where: bonds (distance) C4'-P energy: -7.450 bonds (distance) P-C4' energy: -9.982 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -47.420545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.420545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.420545 (E_RNA) where: Base-Base interactions energy: -20.766 where: short stacking energy: -16.092 Base-Backbone interact. energy: -0.032 local terms energy: -26.622873 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: 2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -50.243559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.243559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.243559 (E_RNA) where: Base-Base interactions energy: -16.674 where: short stacking energy: -14.160 Base-Backbone interact. energy: -0.003 local terms energy: -33.566672 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -9.806 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -114.896875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.896875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.896875 (E_RNA) where: Base-Base interactions energy: -74.810 where: short stacking energy: -30.281 Base-Backbone interact. energy: -0.150 local terms energy: -39.936982 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -8.770 flat angles C4'-P-C4' energy: -9.901 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -117.463243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.463243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.463243 (E_RNA) where: Base-Base interactions energy: -76.429 where: short stacking energy: -32.686 Base-Backbone interact. energy: -0.000 local terms energy: -41.033564 where: bonds (distance) C4'-P energy: -10.301 bonds (distance) P-C4' energy: -8.632 flat angles C4'-P-C4' energy: -8.511 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -8.200 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: 38 Temperature: 1.000000 Total energy: -111.898023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.898023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.898023 (E_RNA) where: Base-Base interactions energy: -77.232 where: short stacking energy: -32.973 Base-Backbone interact. energy: -0.001 local terms energy: -34.664912 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -6.350 tors. eta vs tors. theta energy: -9.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -109.704377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.704377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.704377 (E_RNA) where: Base-Base interactions energy: -75.837 where: short stacking energy: -31.494 Base-Backbone interact. energy: -0.625 local terms energy: -33.243025 where: bonds (distance) C4'-P energy: -5.313 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -102.801131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.801131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.801131 (E_RNA) where: Base-Base interactions energy: -66.569 where: short stacking energy: -30.110 Base-Backbone interact. energy: -0.146 local terms energy: -36.086187 where: bonds (distance) C4'-P energy: -9.341 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -60.953244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.953244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.953244 (E_RNA) where: Base-Base interactions energy: -26.007 where: short stacking energy: -21.000 Base-Backbone interact. energy: -0.377 local terms energy: -34.569178 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -110.216425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.216425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.216425 (E_RNA) where: Base-Base interactions energy: -77.192 where: short stacking energy: -33.089 Base-Backbone interact. energy: -0.014 local terms energy: -33.010421 where: bonds (distance) C4'-P energy: -10.500 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -7.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -62.822643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.822643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.822643 (E_RNA) where: Base-Base interactions energy: -25.299 where: short stacking energy: -18.483 Base-Backbone interact. energy: -0.004 local terms energy: -37.520559 where: bonds (distance) C4'-P energy: -6.112 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -8.557 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -50.346618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.346618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.346618 (E_RNA) where: Base-Base interactions energy: -18.904 where: short stacking energy: -18.904 Base-Backbone interact. energy: -0.318 local terms energy: -31.124754 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -8.914 flat angles C4'-P-C4' energy: -9.688 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -53.272587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.272587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.272587 (E_RNA) where: Base-Base interactions energy: -20.755 where: short stacking energy: -20.755 Base-Backbone interact. energy: -0.012 local terms energy: -32.506306 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -126.120480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.120480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.120480 (E_RNA) where: Base-Base interactions energy: -87.328 where: short stacking energy: -36.100 Base-Backbone interact. energy: -0.000 local terms energy: -38.792181 where: bonds (distance) C4'-P energy: -8.364 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -7.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -115.115839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.115839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.115839 (E_RNA) where: Base-Base interactions energy: -76.612 where: short stacking energy: -30.154 Base-Backbone interact. energy: -0.001 local terms energy: -38.503570 where: bonds (distance) C4'-P energy: -8.136 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -6.884 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: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -108.060797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.060797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.060797 (E_RNA) where: Base-Base interactions energy: -70.294 where: short stacking energy: -22.861 Base-Backbone interact. energy: -0.000 local terms energy: -37.766711 where: bonds (distance) C4'-P energy: -8.885 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -9.707 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -112.792360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.792360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.792360 (E_RNA) where: Base-Base interactions energy: -76.278 where: short stacking energy: -31.217 Base-Backbone interact. energy: -0.001 local terms energy: -36.513708 where: bonds (distance) C4'-P energy: -7.064 bonds (distance) P-C4' energy: -8.933 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -5.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -110.028760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.028760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.028760 (E_RNA) where: Base-Base interactions energy: -70.164 where: short stacking energy: -28.312 Base-Backbone interact. energy: -0.005 local terms energy: -39.859764 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -9.983 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: -9.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -103.660191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.660191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.660191 (E_RNA) where: Base-Base interactions energy: -63.528 where: short stacking energy: -24.216 Base-Backbone interact. energy: -0.844 local terms energy: -39.288096 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -8.751 flat angles C4'-P-C4' energy: -9.323 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -55.936525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.936525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.936525 (E_RNA) where: Base-Base interactions energy: -30.121 where: short stacking energy: -16.634 Base-Backbone interact. energy: -0.077 local terms energy: -25.738384 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -2.701 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -55.664049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.664049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.664049 (E_RNA) where: Base-Base interactions energy: -24.370 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.011 local terms energy: -31.283386 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -58.308156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.308156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.308156 (E_RNA) where: Base-Base interactions energy: -19.491 where: short stacking energy: -19.491 Base-Backbone interact. energy: -0.000 local terms energy: -38.817463 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -6.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -56.313518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.313518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.313518 (E_RNA) where: Base-Base interactions energy: -22.632 where: short stacking energy: -22.632 Base-Backbone interact. energy: -0.142 local terms energy: -33.540170 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -8.929 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -119.619995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.619995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.619995 (E_RNA) where: Base-Base interactions energy: -76.283 where: short stacking energy: -31.444 Base-Backbone interact. energy: -0.001 local terms energy: -43.336373 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -10.031 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -7.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -121.021330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.021330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.021330 (E_RNA) where: Base-Base interactions energy: -79.416 where: short stacking energy: -36.831 Base-Backbone interact. energy: -0.001 local terms energy: -41.603833 where: bonds (distance) C4'-P energy: -7.434 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -8.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -109.725646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.725646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.725646 (E_RNA) where: Base-Base interactions energy: -70.122 where: short stacking energy: -28.345 Base-Backbone interact. energy: -0.018 local terms energy: -39.584995 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -10.082 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -110.656056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.656056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.656056 (E_RNA) where: Base-Base interactions energy: -68.252 where: short stacking energy: -26.337 Base-Backbone interact. energy: -0.265 local terms energy: -42.139931 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -10.143 flat angles C4'-P-C4' energy: -9.883 flat angles P-C4'-P energy: -2.868 tors. eta vs tors. theta energy: -8.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -110.424736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.424736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.424736 (E_RNA) where: Base-Base interactions energy: -65.742 where: short stacking energy: -27.192 Base-Backbone interact. energy: -1.068 local terms energy: -43.614056 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -9.252 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -6.766 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -101.309414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.309414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.309414 (E_RNA) where: Base-Base interactions energy: -65.931 where: short stacking energy: -25.424 Base-Backbone interact. energy: -0.128 local terms energy: -35.250714 where: bonds (distance) C4'-P energy: -9.068 bonds (distance) P-C4' energy: -5.859 flat angles C4'-P-C4' energy: -9.501 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -67.445416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.445416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.445416 (E_RNA) where: Base-Base interactions energy: -37.797 where: short stacking energy: -22.693 Base-Backbone interact. energy: 0.449 local terms energy: -30.096854 where: bonds (distance) C4'-P energy: -4.662 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -55.773831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.773831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.773831 (E_RNA) where: Base-Base interactions energy: -22.095 where: short stacking energy: -17.580 Base-Backbone interact. energy: -0.151 local terms energy: -33.527405 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -8.070 flat angles C4'-P-C4' energy: -8.929 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -1.389 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: 9, replica: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -53.589692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.589692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.589692 (E_RNA) where: Base-Base interactions energy: -16.141 where: short stacking energy: -16.141 Base-Backbone interact. energy: -0.000 local terms energy: -37.448304 where: bonds (distance) C4'-P energy: -10.570 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -53.067561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.067561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.067561 (E_RNA) where: Base-Base interactions energy: -25.799 where: short stacking energy: -25.799 Base-Backbone interact. energy: 0.162 local terms energy: -27.430938 where: bonds (distance) C4'-P energy: -8.384 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -113.396670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.396670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.396670 (E_RNA) where: Base-Base interactions energy: -72.204 where: short stacking energy: -29.458 Base-Backbone interact. energy: -0.124 local terms energy: -41.068389 where: bonds (distance) C4'-P energy: -10.284 bonds (distance) P-C4' energy: -9.572 flat angles C4'-P-C4' energy: -10.778 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -6.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -111.757437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.757437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.757437 (E_RNA) where: Base-Base interactions energy: -71.498 where: short stacking energy: -36.898 Base-Backbone interact. energy: -0.002 local terms energy: -40.257813 where: bonds (distance) C4'-P energy: -8.435 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -10.833 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -110.186564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.186564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.186564 (E_RNA) where: Base-Base interactions energy: -72.954 where: short stacking energy: -30.667 Base-Backbone interact. energy: -0.709 local terms energy: -36.522803 where: bonds (distance) C4'-P energy: -8.910 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -7.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -113.092196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.092196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.092196 (E_RNA) where: Base-Base interactions energy: -73.041 where: short stacking energy: -30.793 Base-Backbone interact. energy: -0.000 local terms energy: -40.050591 where: bonds (distance) C4'-P energy: -8.873 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -9.170 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -6.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -102.156004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.156004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.156004 (E_RNA) where: Base-Base interactions energy: -60.838 where: short stacking energy: -26.285 Base-Backbone interact. energy: -0.000 local terms energy: -41.317579 where: bonds (distance) C4'-P energy: -10.417 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -8.942 flat angles P-C4'-P energy: -7.477 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -63.442963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.442963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.442963 (E_RNA) where: Base-Base interactions energy: -29.128 where: short stacking energy: -22.518 Base-Backbone interact. energy: 0.102 local terms energy: -34.417147 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -6.614 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -98.581967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.581967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.581967 (E_RNA) where: Base-Base interactions energy: -63.299 where: short stacking energy: -23.755 Base-Backbone interact. energy: -0.053 local terms energy: -35.229372 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -9.630 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -5.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -59.510356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.510356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.510356 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.022 local terms energy: -32.953634 where: bonds (distance) C4'-P energy: -8.578 bonds (distance) P-C4' energy: -7.726 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -63.126871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.126871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.126871 (E_RNA) where: Base-Base interactions energy: -25.496 where: short stacking energy: -23.942 Base-Backbone interact. energy: -0.479 local terms energy: -37.152183 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -8.708 flat angles C4'-P-C4' energy: -9.235 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -7.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -54.803556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.803556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.803556 (E_RNA) where: Base-Base interactions energy: -23.923 where: short stacking energy: -14.373 Base-Backbone interact. energy: -0.077 local terms energy: -30.803173 where: bonds (distance) C4'-P energy: -8.944 bonds (distance) P-C4' energy: -6.751 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -1.200 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -123.868235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.868235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.868235 (E_RNA) where: Base-Base interactions energy: -84.419 where: short stacking energy: -39.794 Base-Backbone interact. energy: -0.002 local terms energy: -39.447278 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -10.394 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -9.160 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: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -115.406003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.406003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.406003 (E_RNA) where: Base-Base interactions energy: -71.817 where: short stacking energy: -33.870 Base-Backbone interact. energy: 0.058 local terms energy: -43.647007 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -10.359 flat angles C4'-P-C4' energy: -9.689 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -11.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -120.732043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.732043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.732043 (E_RNA) where: Base-Base interactions energy: -75.786 where: short stacking energy: -32.708 Base-Backbone interact. energy: -0.102 local terms energy: -44.844123 where: bonds (distance) C4'-P energy: -8.873 bonds (distance) P-C4' energy: -10.032 flat angles C4'-P-C4' energy: -8.901 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -11.773 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: 5 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -107.338840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.338840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.338840 (E_RNA) where: Base-Base interactions energy: -64.979 where: short stacking energy: -30.377 Base-Backbone interact. energy: -0.526 local terms energy: -41.834063 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -106.279397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.279397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.279397 (E_RNA) where: Base-Base interactions energy: -68.885 where: short stacking energy: -33.067 Base-Backbone interact. energy: -0.201 local terms energy: -37.193624 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -1.966 tors. eta vs tors. theta energy: -8.689 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: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -59.454471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.454471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.454471 (E_RNA) where: Base-Base interactions energy: -28.713 where: short stacking energy: -15.580 Base-Backbone interact. energy: -0.154 local terms energy: -30.587264 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: 0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -104.338090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.338090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.338090 (E_RNA) where: Base-Base interactions energy: -68.205 where: short stacking energy: -29.051 Base-Backbone interact. energy: -0.375 local terms energy: -35.758031 where: bonds (distance) C4'-P energy: -5.900 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -8.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -50.386397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.386397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.386397 (E_RNA) where: Base-Base interactions energy: -20.813 where: short stacking energy: -19.034 Base-Backbone interact. energy: -0.090 local terms energy: -29.483690 where: bonds (distance) C4'-P energy: -7.644 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -3.354 flat angles P-C4'-P energy: -7.535 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -51.889439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.889439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.889439 (E_RNA) where: Base-Base interactions energy: -21.072 where: short stacking energy: -21.072 Base-Backbone interact. energy: -0.002 local terms energy: -30.815089 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -7.300 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -54.309527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.309527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.309527 (E_RNA) where: Base-Base interactions energy: -17.332 where: short stacking energy: -17.332 Base-Backbone interact. energy: -0.189 local terms energy: -36.788731 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -9.048 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -121.347566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.347566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.347566 (E_RNA) where: Base-Base interactions energy: -81.979 where: short stacking energy: -34.652 Base-Backbone interact. energy: 0.467 local terms energy: -39.835248 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -8.900 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: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -120.555208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.555208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.555208 (E_RNA) where: Base-Base interactions energy: -79.520 where: short stacking energy: -33.052 Base-Backbone interact. energy: -0.003 local terms energy: -41.032231 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -9.252 flat angles C4'-P-C4' energy: -8.823 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -106.357783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.357783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.357783 (E_RNA) where: Base-Base interactions energy: -63.549 where: short stacking energy: -27.152 Base-Backbone interact. energy: -0.667 local terms energy: -42.141232 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -9.750 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -7.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -107.251025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.251025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.251025 (E_RNA) where: Base-Base interactions energy: -65.225 where: short stacking energy: -30.301 Base-Backbone interact. energy: -0.199 local terms energy: -41.826107 where: bonds (distance) C4'-P energy: -6.757 bonds (distance) P-C4' energy: -9.597 flat angles C4'-P-C4' energy: -9.299 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -7.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -105.758866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.758866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.758866 (E_RNA) where: Base-Base interactions energy: -75.437 where: short stacking energy: -30.309 Base-Backbone interact. energy: -0.038 local terms energy: -30.283509 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -4.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -102.193578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.193578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.193578 (E_RNA) where: Base-Base interactions energy: -67.534 where: short stacking energy: -27.666 Base-Backbone interact. energy: -0.045 local terms energy: -34.615434 where: bonds (distance) C4'-P energy: -7.411 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -5.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -60.502215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.502215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.502215 (E_RNA) where: Base-Base interactions energy: -31.117 where: short stacking energy: -19.463 Base-Backbone interact. energy: -0.116 local terms energy: -29.269648 where: bonds (distance) C4'-P energy: -4.667 bonds (distance) P-C4' energy: -9.987 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -59.491315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.491315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.491315 (E_RNA) where: Base-Base interactions energy: -21.216 where: short stacking energy: -16.626 Base-Backbone interact. energy: 0.354 local terms energy: -38.629410 where: bonds (distance) C4'-P energy: -9.342 bonds (distance) P-C4' energy: -10.817 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -56.744337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.744337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.744337 (E_RNA) where: Base-Base interactions energy: -21.005 where: short stacking energy: -12.412 Base-Backbone interact. energy: -0.084 local terms energy: -35.655173 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -10.910 flat angles C4'-P-C4' energy: -9.740 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: 1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -52.179815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.179815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.179815 (E_RNA) where: Base-Base interactions energy: -21.680 where: short stacking energy: -22.480 Base-Backbone interact. energy: -0.730 local terms energy: -29.769735 where: bonds (distance) C4'-P energy: -8.578 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -1.152 tors. eta vs tors. theta energy: -6.655 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: 1, replica: 1 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -119.590080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.590080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.590080 (E_RNA) where: Base-Base interactions energy: -79.847 where: short stacking energy: -35.101 Base-Backbone interact. energy: -0.004 local terms energy: -39.738877 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -7.811 flat angles C4'-P-C4' energy: -9.211 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -8.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -114.600283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.600283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.600283 (E_RNA) where: Base-Base interactions energy: -76.469 where: short stacking energy: -31.998 Base-Backbone interact. energy: -0.009 local terms energy: -38.122946 where: bonds (distance) C4'-P energy: -8.555 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -1.052 tors. eta vs tors. theta energy: -8.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -108.304403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.304403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.304403 (E_RNA) where: Base-Base interactions energy: -68.530 where: short stacking energy: -29.879 Base-Backbone interact. energy: -1.010 local terms energy: -38.763972 where: bonds (distance) C4'-P energy: -7.789 bonds (distance) P-C4' energy: -9.634 flat angles C4'-P-C4' energy: -7.734 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -5.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -111.637291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.637291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.637291 (E_RNA) where: Base-Base interactions energy: -71.989 where: short stacking energy: -27.398 Base-Backbone interact. energy: -0.006 local terms energy: -39.641882 where: bonds (distance) C4'-P energy: -10.400 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -104.385993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.385993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.385993 (E_RNA) where: Base-Base interactions energy: -70.807 where: short stacking energy: -28.998 Base-Backbone interact. energy: -0.101 local terms energy: -33.477468 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -10.408 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -1.301 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -113.299421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.299421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.299421 (E_RNA) where: Base-Base interactions energy: -79.171 where: short stacking energy: -31.354 Base-Backbone interact. energy: -0.044 local terms energy: -34.084553 where: bonds (distance) C4'-P energy: -5.549 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -9.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -58.968983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.968983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.968983 (E_RNA) where: Base-Base interactions energy: -20.616 where: short stacking energy: -20.616 Base-Backbone interact. energy: -0.049 local terms energy: -38.303879 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -52.109331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.109331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.109331 (E_RNA) where: Base-Base interactions energy: -25.485 where: short stacking energy: -16.876 Base-Backbone interact. energy: -0.002 local terms energy: -26.622492 where: bonds (distance) C4'-P energy: -6.956 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -3.253 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: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -55.916459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.916459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.916459 (E_RNA) where: Base-Base interactions energy: -20.104 where: short stacking energy: -20.104 Base-Backbone interact. energy: -0.004 local terms energy: -35.809100 where: bonds (distance) C4'-P energy: -9.652 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -8.793 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -57.659428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.659428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.659428 (E_RNA) where: Base-Base interactions energy: -22.931 where: short stacking energy: -22.931 Base-Backbone interact. energy: -0.000 local terms energy: -34.728414 where: bonds (distance) C4'-P energy: -8.865 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -9.627 flat angles P-C4'-P energy: -1.750 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -117.454058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.454058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.454058 (E_RNA) where: Base-Base interactions energy: -72.435 where: short stacking energy: -33.977 Base-Backbone interact. energy: -0.810 local terms energy: -44.208690 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -9.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -120.305997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.305997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.305997 (E_RNA) where: Base-Base interactions energy: -76.788 where: short stacking energy: -35.837 Base-Backbone interact. energy: -0.915 local terms energy: -42.602253 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -10.150 flat angles C4'-P-C4' energy: -9.017 flat angles P-C4'-P energy: -7.228 tors. eta vs tors. theta energy: -7.193 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: 45 Temperature: 1.000000 Total energy: -108.087239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.087239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.087239 (E_RNA) where: Base-Base interactions energy: -66.583 where: short stacking energy: -24.936 Base-Backbone interact. energy: -0.059 local terms energy: -41.444590 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -8.628 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -8.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -107.733536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.733536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.733536 (E_RNA) where: Base-Base interactions energy: -73.366 where: short stacking energy: -27.201 Base-Backbone interact. energy: -0.372 local terms energy: -33.995390 where: bonds (distance) C4'-P energy: -7.640 bonds (distance) P-C4' energy: -9.613 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -6.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -106.420224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.420224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.420224 (E_RNA) where: Base-Base interactions energy: -68.055 where: short stacking energy: -26.617 Base-Backbone interact. energy: -0.687 local terms energy: -37.678407 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -10.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -106.481900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.481900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.481900 (E_RNA) where: Base-Base interactions energy: -67.206 where: short stacking energy: -25.486 Base-Backbone interact. energy: -0.024 local terms energy: -39.251856 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -7.594 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -7.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -56.187957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.187957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.187957 (E_RNA) where: Base-Base interactions energy: -26.174 where: short stacking energy: -20.147 Base-Backbone interact. energy: -0.002 local terms energy: -30.011740 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -10.064 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: 0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -55.797168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.797168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.797168 (E_RNA) where: Base-Base interactions energy: -22.867 where: short stacking energy: -22.867 Base-Backbone interact. energy: -0.004 local terms energy: -32.926485 where: bonds (distance) C4'-P energy: -4.567 bonds (distance) P-C4' energy: -8.819 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -6.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -44.336765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.336765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.336765 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.152 local terms energy: -32.792216 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -2.737 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: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -48.319382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.319382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.319382 (E_RNA) where: Base-Base interactions energy: -18.188 where: short stacking energy: -18.188 Base-Backbone interact. energy: -0.246 local terms energy: -29.885247 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -8.652 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: 0.224 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: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -117.802994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.802994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.802994 (E_RNA) where: Base-Base interactions energy: -78.347 where: short stacking energy: -30.666 Base-Backbone interact. energy: -0.001 local terms energy: -39.455122 where: bonds (distance) C4'-P energy: -9.134 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -10.093 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -6.662 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: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -117.625309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.625309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.625309 (E_RNA) where: Base-Base interactions energy: -79.302 where: short stacking energy: -28.186 Base-Backbone interact. energy: -0.006 local terms energy: -38.317681 where: bonds (distance) C4'-P energy: -9.833 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -9.708 flat angles P-C4'-P energy: -1.786 tors. eta vs tors. theta energy: -6.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -109.020710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.020710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.020710 (E_RNA) where: Base-Base interactions energy: -73.021 where: short stacking energy: -32.864 Base-Backbone interact. energy: -0.110 local terms energy: -35.890028 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -108.224951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.224951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.224951 (E_RNA) where: Base-Base interactions energy: -69.680 where: short stacking energy: -31.729 Base-Backbone interact. energy: -0.074 local terms energy: -38.470955 where: bonds (distance) C4'-P energy: -9.151 bonds (distance) P-C4' energy: -6.634 flat angles C4'-P-C4' energy: -9.375 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -7.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -103.344274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.344274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.344274 (E_RNA) where: Base-Base interactions energy: -63.844 where: short stacking energy: -29.042 Base-Backbone interact. energy: -0.002 local terms energy: -39.498277 where: bonds (distance) C4'-P energy: -9.180 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -10.933 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -107.232178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.232178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.232178 (E_RNA) where: Base-Base interactions energy: -72.024 where: short stacking energy: -27.552 Base-Backbone interact. energy: -0.023 local terms energy: -35.185367 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -9.407 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -53.233345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.233345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.233345 (E_RNA) where: Base-Base interactions energy: -13.613 where: short stacking energy: -13.613 Base-Backbone interact. energy: -0.001 local terms energy: -39.618933 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: -5.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -56.103964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.103964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.103964 (E_RNA) where: Base-Base interactions energy: -19.842 where: short stacking energy: -19.842 Base-Backbone interact. energy: -0.020 local terms energy: -36.242734 where: bonds (distance) C4'-P energy: -7.326 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -9.069 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -53.134883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.134883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.134883 (E_RNA) where: Base-Base interactions energy: -18.496 where: short stacking energy: -17.157 Base-Backbone interact. energy: -0.014 local terms energy: -34.624776 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -50.960248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.960248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.960248 (E_RNA) where: Base-Base interactions energy: -16.268 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.154 local terms energy: -34.538548 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -119.514623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.514623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.514623 (E_RNA) where: Base-Base interactions energy: -73.517 where: short stacking energy: -29.184 Base-Backbone interact. energy: -1.239 local terms energy: -44.758579 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -10.032 flat angles C4'-P-C4' energy: -10.079 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -8.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -114.864683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.864683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.864683 (E_RNA) where: Base-Base interactions energy: -74.671 where: short stacking energy: -35.073 Base-Backbone interact. energy: 0.067 local terms energy: -40.260504 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -10.588 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -6.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -111.819344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.819344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.819344 (E_RNA) where: Base-Base interactions energy: -69.428 where: short stacking energy: -30.878 Base-Backbone interact. energy: -0.026 local terms energy: -42.364798 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -2.970 tors. eta vs tors. theta energy: -12.055 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: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -105.528913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.528913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.528913 (E_RNA) where: Base-Base interactions energy: -65.740 where: short stacking energy: -26.450 Base-Backbone interact. energy: -0.190 local terms energy: -39.599020 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -5.849 flat angles C4'-P-C4' energy: -9.575 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -10.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -116.683417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.683417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.683417 (E_RNA) where: Base-Base interactions energy: -81.427 where: short stacking energy: -29.528 Base-Backbone interact. energy: -0.007 local terms energy: -35.249531 where: bonds (distance) C4'-P energy: -7.627 bonds (distance) P-C4' energy: -6.135 flat angles C4'-P-C4' energy: -10.815 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -6.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -59.885887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.885887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.885887 (E_RNA) where: Base-Base interactions energy: -22.705 where: short stacking energy: -22.705 Base-Backbone interact. energy: -0.050 local terms energy: -37.131326 where: bonds (distance) C4'-P energy: -8.152 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -104.290155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.290155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.290155 (E_RNA) where: Base-Base interactions energy: -68.578 where: short stacking energy: -26.723 Base-Backbone interact. energy: 0.212 local terms energy: -35.923970 where: bonds (distance) C4'-P energy: -8.666 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -6.267 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -51.765550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.765550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.765550 (E_RNA) where: Base-Base interactions energy: -17.380 where: short stacking energy: -14.925 Base-Backbone interact. energy: 0.308 local terms energy: -34.693315 where: bonds (distance) C4'-P energy: -8.393 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -53.021118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.021118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.021118 (E_RNA) where: Base-Base interactions energy: -21.139 where: short stacking energy: -21.139 Base-Backbone interact. energy: -0.012 local terms energy: -31.869685 where: bonds (distance) C4'-P energy: -7.225 bonds (distance) P-C4' energy: -9.729 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -53.720471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.720471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.720471 (E_RNA) where: Base-Base interactions energy: -20.074 where: short stacking energy: -11.445 Base-Backbone interact. energy: -0.349 local terms energy: -33.297245 where: bonds (distance) C4'-P energy: -8.488 bonds (distance) P-C4' energy: -10.091 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: 0.383 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: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -118.368331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.368331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.368331 (E_RNA) where: Base-Base interactions energy: -79.264 where: short stacking energy: -31.735 Base-Backbone interact. energy: -0.053 local terms energy: -39.051006 where: bonds (distance) C4'-P energy: -8.785 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -10.896 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -6.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -115.852341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.852341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.852341 (E_RNA) where: Base-Base interactions energy: -75.399 where: short stacking energy: -33.985 Base-Backbone interact. energy: -0.044 local terms energy: -40.409294 where: bonds (distance) C4'-P energy: -8.153 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -11.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -111.163627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.163627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.163627 (E_RNA) where: Base-Base interactions energy: -71.408 where: short stacking energy: -34.722 Base-Backbone interact. energy: 0.317 local terms energy: -40.072809 where: bonds (distance) C4'-P energy: -8.376 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -10.193 flat angles P-C4'-P energy: -6.401 tors. eta vs tors. theta energy: -6.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -115.323096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.323096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.323096 (E_RNA) where: Base-Base interactions energy: -74.558 where: short stacking energy: -34.020 Base-Backbone interact. energy: -0.286 local terms energy: -40.479311 where: bonds (distance) C4'-P energy: -8.103 bonds (distance) P-C4' energy: -8.587 flat angles C4'-P-C4' energy: -8.581 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -10.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -111.719987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.719987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.719987 (E_RNA) where: Base-Base interactions energy: -77.501 where: short stacking energy: -31.105 Base-Backbone interact. energy: -0.008 local terms energy: -34.210998 where: bonds (distance) C4'-P energy: -8.206 bonds (distance) P-C4' energy: -6.574 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -1.309 tors. eta vs tors. theta energy: -10.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -57.271619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.271619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.271619 (E_RNA) where: Base-Base interactions energy: -24.409 where: short stacking energy: -24.409 Base-Backbone interact. energy: 2.806 local terms energy: -35.668004 where: bonds (distance) C4'-P energy: -8.716 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -4.058 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: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -87.797999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.797999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.797999 (E_RNA) where: Base-Base interactions energy: -56.608 where: short stacking energy: -18.020 Base-Backbone interact. energy: -0.084 local terms energy: -31.106629 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -9.987 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -53.455341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.455341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.455341 (E_RNA) where: Base-Base interactions energy: -21.740 where: short stacking energy: -21.997 Base-Backbone interact. energy: -0.012 local terms energy: -31.703052 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -8.727 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -0.861 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -55.717626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.717626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.717626 (E_RNA) where: Base-Base interactions energy: -18.217 where: short stacking energy: -16.909 Base-Backbone interact. energy: -0.035 local terms energy: -37.464736 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -5.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -48.177057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.177057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.177057 (E_RNA) where: Base-Base interactions energy: -15.391 where: short stacking energy: -15.391 Base-Backbone interact. energy: -0.077 local terms energy: -32.708889 where: bonds (distance) C4'-P energy: -9.134 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -118.007561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.007561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.007561 (E_RNA) where: Base-Base interactions energy: -73.743 where: short stacking energy: -38.870 Base-Backbone interact. energy: -0.004 local terms energy: -44.260769 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -10.390 flat angles C4'-P-C4' energy: -9.220 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -9.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -113.638318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.638318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.638318 (E_RNA) where: Base-Base interactions energy: -72.555 where: short stacking energy: -32.368 Base-Backbone interact. energy: -0.010 local terms energy: -41.073522 where: bonds (distance) C4'-P energy: -8.607 bonds (distance) P-C4' energy: -9.972 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -6.382 tors. eta vs tors. theta energy: -8.383 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: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -113.043639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.043639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.043639 (E_RNA) where: Base-Base interactions energy: -73.971 where: short stacking energy: -33.704 Base-Backbone interact. energy: -0.079 local terms energy: -38.993975 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.824 flat angles C4'-P-C4' energy: -9.782 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -8.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -108.947412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.947412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.947412 (E_RNA) where: Base-Base interactions energy: -71.431 where: short stacking energy: -31.009 Base-Backbone interact. energy: -0.027 local terms energy: -37.488961 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -4.851 flat angles C4'-P-C4' energy: -9.166 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -109.941267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.941267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.941267 (E_RNA) where: Base-Base interactions energy: -71.712 where: short stacking energy: -25.321 Base-Backbone interact. energy: -0.014 local terms energy: -38.214767 where: bonds (distance) C4'-P energy: -7.291 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -10.517 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -8.466 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: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -103.946486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.946486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.946486 (E_RNA) where: Base-Base interactions energy: -60.496 where: short stacking energy: -23.527 Base-Backbone interact. energy: -0.526 local terms energy: -42.923894 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -9.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -61.809620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.809620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.809620 (E_RNA) where: Base-Base interactions energy: -29.072 where: short stacking energy: -29.072 Base-Backbone interact. energy: -0.000 local terms energy: -32.737016 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -4.641 flat angles C4'-P-C4' energy: -8.381 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -8.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -57.296998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.296998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.296998 (E_RNA) where: Base-Base interactions energy: -22.942 where: short stacking energy: -22.942 Base-Backbone interact. energy: -0.000 local terms energy: -34.355189 where: bonds (distance) C4'-P energy: -9.945 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -52.950459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.950459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.950459 (E_RNA) where: Base-Base interactions energy: -15.384 where: short stacking energy: -15.384 Base-Backbone interact. energy: -0.105 local terms energy: -37.461373 where: bonds (distance) C4'-P energy: -8.559 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -9.996 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -41.299068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.299068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.299068 (E_RNA) where: Base-Base interactions energy: -12.902 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.277 local terms energy: -28.120299 where: bonds (distance) C4'-P energy: -6.956 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: 0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -117.117811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.117811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.117811 (E_RNA) where: Base-Base interactions energy: -82.378 where: short stacking energy: -37.460 Base-Backbone interact. energy: 2.708 local terms energy: -37.448216 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -8.950 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -7.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -118.361364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.361364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.361364 (E_RNA) where: Base-Base interactions energy: -73.287 where: short stacking energy: -35.402 Base-Backbone interact. energy: -0.874 local terms energy: -44.200394 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -10.326 flat angles C4'-P-C4' energy: -10.020 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: -10.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -111.378225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.378225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.378225 (E_RNA) where: Base-Base interactions energy: -74.621 where: short stacking energy: -33.870 Base-Backbone interact. energy: -0.002 local terms energy: -36.754842 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -7.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -109.237633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.237633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.237633 (E_RNA) where: Base-Base interactions energy: -72.495 where: short stacking energy: -32.140 Base-Backbone interact. energy: -0.003 local terms energy: -36.739692 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -6.733 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -8.330 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: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -104.841471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.841471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.841471 (E_RNA) where: Base-Base interactions energy: -73.599 where: short stacking energy: -29.726 Base-Backbone interact. energy: -0.612 local terms energy: -30.630559 where: bonds (distance) C4'-P energy: -5.621 bonds (distance) P-C4' energy: -9.548 flat angles C4'-P-C4' energy: -9.334 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -102.551198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.551198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.551198 (E_RNA) where: Base-Base interactions energy: -64.273 where: short stacking energy: -30.502 Base-Backbone interact. energy: -0.350 local terms energy: -37.928495 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -8.960 flat angles C4'-P-C4' energy: -9.329 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -59.318427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.318427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.318427 (E_RNA) where: Base-Base interactions energy: -25.967 where: short stacking energy: -25.967 Base-Backbone interact. energy: -0.000 local terms energy: -33.350770 where: bonds (distance) C4'-P energy: -6.898 bonds (distance) P-C4' energy: -8.984 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -6.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -51.287409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.287409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.287409 (E_RNA) where: Base-Base interactions energy: -16.668 where: short stacking energy: -12.016 Base-Backbone interact. energy: -0.016 local terms energy: -34.603799 where: bonds (distance) C4'-P energy: -8.658 bonds (distance) P-C4' energy: -9.965 flat angles C4'-P-C4' energy: -9.306 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -51.622680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.622680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.622680 (E_RNA) where: Base-Base interactions energy: -20.456 where: short stacking energy: -19.804 Base-Backbone interact. energy: -0.054 local terms energy: -31.112601 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -9.901 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -48.063733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.063733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.063733 (E_RNA) where: Base-Base interactions energy: -17.801 where: short stacking energy: -17.801 Base-Backbone interact. energy: -0.049 local terms energy: -30.213679 where: bonds (distance) C4'-P energy: -10.020 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -2.915 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: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -119.410850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.410850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.410850 (E_RNA) where: Base-Base interactions energy: -69.762 where: short stacking energy: -29.193 Base-Backbone interact. energy: -0.634 local terms energy: -49.014738 where: bonds (distance) C4'-P energy: -9.701 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -10.132 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -10.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -111.103421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.103421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.103421 (E_RNA) where: Base-Base interactions energy: -72.773 where: short stacking energy: -30.224 Base-Backbone interact. energy: -0.000 local terms energy: -38.329697 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -6.373 flat angles C4'-P-C4' energy: -10.266 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -7.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -104.382200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.382200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.382200 (E_RNA) where: Base-Base interactions energy: -62.769 where: short stacking energy: -25.395 Base-Backbone interact. energy: -0.056 local terms energy: -41.557036 where: bonds (distance) C4'-P energy: -9.795 bonds (distance) P-C4' energy: -9.717 flat angles C4'-P-C4' energy: -9.269 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -7.697 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: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -116.533398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.533398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.533398 (E_RNA) where: Base-Base interactions energy: -81.629 where: short stacking energy: -31.763 Base-Backbone interact. energy: -0.390 local terms energy: -34.514577 where: bonds (distance) C4'-P energy: -8.488 bonds (distance) P-C4' energy: -9.777 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -108.384475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.384475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.384475 (E_RNA) where: Base-Base interactions energy: -70.018 where: short stacking energy: -30.366 Base-Backbone interact. energy: -0.065 local terms energy: -38.301526 where: bonds (distance) C4'-P energy: -8.633 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -103.700820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.700820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.700820 (E_RNA) where: Base-Base interactions energy: -74.162 where: short stacking energy: -30.272 Base-Backbone interact. energy: -0.015 local terms energy: -29.523617 where: bonds (distance) C4'-P energy: -7.387 bonds (distance) P-C4' energy: -9.485 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -2.385 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -59.519598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.519598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.519598 (E_RNA) where: Base-Base interactions energy: -22.331 where: short stacking energy: -22.331 Base-Backbone interact. energy: -0.038 local terms energy: -37.149979 where: bonds (distance) C4'-P energy: -8.653 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -50.909777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.909777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.909777 (E_RNA) where: Base-Base interactions energy: -16.284 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.092 local terms energy: -34.534070 where: bonds (distance) C4'-P energy: -10.260 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -42.834963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.834963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.834963 (E_RNA) where: Base-Base interactions energy: -22.325 where: short stacking energy: -12.264 Base-Backbone interact. energy: 3.165 local terms energy: -23.674254 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: 3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -51.024693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.024693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.024693 (E_RNA) where: Base-Base interactions energy: -30.055 where: short stacking energy: -15.999 Base-Backbone interact. energy: -0.399 local terms energy: -20.570789 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -8.911 flat angles C4'-P-C4' energy: -3.812 flat angles P-C4'-P energy: -1.656 tors. eta vs tors. theta energy: -0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -117.817448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.817448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.817448 (E_RNA) where: Base-Base interactions energy: -78.068 where: short stacking energy: -34.132 Base-Backbone interact. energy: -0.063 local terms energy: -39.686633 where: bonds (distance) C4'-P energy: -7.859 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -10.773 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: -10.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -120.655681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.655681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.655681 (E_RNA) where: Base-Base interactions energy: -78.612 where: short stacking energy: -38.109 Base-Backbone interact. energy: -0.000 local terms energy: -42.042967 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -8.942 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -10.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -110.674493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.674493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.674493 (E_RNA) where: Base-Base interactions energy: -76.873 where: short stacking energy: -32.536 Base-Backbone interact. energy: -0.342 local terms energy: -33.459372 where: bonds (distance) C4'-P energy: -8.872 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -7.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -104.470518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.470518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.470518 (E_RNA) where: Base-Base interactions energy: -64.919 where: short stacking energy: -26.531 Base-Backbone interact. energy: -1.739 local terms energy: -37.812466 where: bonds (distance) C4'-P energy: -7.367 bonds (distance) P-C4' energy: -11.332 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -6.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -109.799700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.799700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.799700 (E_RNA) where: Base-Base interactions energy: -72.116 where: short stacking energy: -33.317 Base-Backbone interact. energy: -0.089 local terms energy: -37.594774 where: bonds (distance) C4'-P energy: -5.657 bonds (distance) P-C4' energy: -10.101 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -6.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -103.100929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.100929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.100929 (E_RNA) where: Base-Base interactions energy: -70.361 where: short stacking energy: -31.912 Base-Backbone interact. energy: -0.046 local terms energy: -32.693565 where: bonds (distance) C4'-P energy: -7.036 bonds (distance) P-C4' energy: -4.304 flat angles C4'-P-C4' energy: -10.705 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -7.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -65.193231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.193231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.193231 (E_RNA) where: Base-Base interactions energy: -35.311 where: short stacking energy: -18.986 Base-Backbone interact. energy: -0.220 local terms energy: -29.662862 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -1.762 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -7.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -49.859392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.859392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.859392 (E_RNA) where: Base-Base interactions energy: -23.961 where: short stacking energy: -17.115 Base-Backbone interact. energy: 0.519 local terms energy: -26.417155 where: bonds (distance) C4'-P energy: -8.243 bonds (distance) P-C4' energy: -5.626 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -51.132952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.132952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.132952 (E_RNA) where: Base-Base interactions energy: -21.570 where: short stacking energy: -21.570 Base-Backbone interact. energy: -0.075 local terms energy: -29.487902 where: bonds (distance) C4'-P energy: -8.071 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -8.469 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: 0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -49.730879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.730879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.730879 (E_RNA) where: Base-Base interactions energy: -28.011 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.102 local terms energy: -21.618600 where: bonds (distance) C4'-P energy: -0.524 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -117.139418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.139418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.139418 (E_RNA) where: Base-Base interactions energy: -72.799 where: short stacking energy: -29.900 Base-Backbone interact. energy: -0.169 local terms energy: -44.171315 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -9.796 flat angles C4'-P-C4' energy: -9.909 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -7.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -117.498310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.498310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.498310 (E_RNA) where: Base-Base interactions energy: -77.195 where: short stacking energy: -32.931 Base-Backbone interact. energy: -0.000 local terms energy: -40.302724 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -2.880 tors. eta vs tors. theta energy: -9.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -113.662386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.662386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.662386 (E_RNA) where: Base-Base interactions energy: -69.443 where: short stacking energy: -34.456 Base-Backbone interact. energy: -0.003 local terms energy: -44.216935 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -9.511 flat angles C4'-P-C4' energy: -10.240 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -7.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -113.739804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.739804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.739804 (E_RNA) where: Base-Base interactions energy: -72.414 where: short stacking energy: -33.848 Base-Backbone interact. energy: -0.641 local terms energy: -40.684630 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -105.847695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.847695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.847695 (E_RNA) where: Base-Base interactions energy: -65.778 where: short stacking energy: -31.069 Base-Backbone interact. energy: -1.550 local terms energy: -38.519700 where: bonds (distance) C4'-P energy: -8.447 bonds (distance) P-C4' energy: -10.320 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -6.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -104.634166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.634166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.634166 (E_RNA) where: Base-Base interactions energy: -64.722 where: short stacking energy: -30.456 Base-Backbone interact. energy: -0.061 local terms energy: -39.850850 where: bonds (distance) C4'-P energy: -9.308 bonds (distance) P-C4' energy: -9.471 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -8.056 tors. eta vs tors. theta energy: -5.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -54.384048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.384048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.384048 (E_RNA) where: Base-Base interactions energy: -24.267 where: short stacking energy: -14.215 Base-Backbone interact. energy: -0.164 local terms energy: -29.952827 where: bonds (distance) C4'-P energy: -7.007 bonds (distance) P-C4' energy: -9.580 flat angles C4'-P-C4' energy: -8.805 flat angles P-C4'-P energy: -1.991 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -58.021997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.021997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.021997 (E_RNA) where: Base-Base interactions energy: -27.968 where: short stacking energy: -17.704 Base-Backbone interact. energy: -1.101 local terms energy: -28.953916 where: bonds (distance) C4'-P energy: -5.110 bonds (distance) P-C4' energy: -4.308 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -8.179 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -52.989800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.989800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.989800 (E_RNA) where: Base-Base interactions energy: -17.647 where: short stacking energy: -17.647 Base-Backbone interact. energy: -0.001 local terms energy: -35.342025 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -4.272 flat angles C4'-P-C4' energy: -9.173 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -6.713 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: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -52.266743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.266743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.266743 (E_RNA) where: Base-Base interactions energy: -28.319 where: short stacking energy: -8.838 Base-Backbone interact. energy: -0.038 local terms energy: -23.909587 where: bonds (distance) C4'-P energy: -8.700 bonds (distance) P-C4' energy: -9.671 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: 5.283 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: 1, replica: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -120.828416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.828416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.828416 (E_RNA) where: Base-Base interactions energy: -81.822 where: short stacking energy: -31.560 Base-Backbone interact. energy: -0.004 local terms energy: -39.003061 where: bonds (distance) C4'-P energy: -9.448 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: -1.341 tors. eta vs tors. theta energy: -11.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -117.456933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.456933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.456933 (E_RNA) where: Base-Base interactions energy: -72.331 where: short stacking energy: -39.174 Base-Backbone interact. energy: -0.001 local terms energy: -45.124565 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: -9.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -112.826960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.826960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.826960 (E_RNA) where: Base-Base interactions energy: -70.278 where: short stacking energy: -31.944 Base-Backbone interact. energy: -0.005 local terms energy: -42.544872 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -9.541 flat angles C4'-P-C4' energy: -9.315 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -111.962572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.962572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.962572 (E_RNA) where: Base-Base interactions energy: -71.093 where: short stacking energy: -31.808 Base-Backbone interact. energy: -1.105 local terms energy: -39.764504 where: bonds (distance) C4'-P energy: -5.536 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -9.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -107.140196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.140196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.140196 (E_RNA) where: Base-Base interactions energy: -70.825 where: short stacking energy: -29.439 Base-Backbone interact. energy: -0.088 local terms energy: -36.227087 where: bonds (distance) C4'-P energy: -4.949 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: -7.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -107.138297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.138297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.138297 (E_RNA) where: Base-Base interactions energy: -69.052 where: short stacking energy: -30.150 Base-Backbone interact. energy: -0.909 local terms energy: -37.177731 where: bonds (distance) C4'-P energy: -8.579 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -5.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -58.159194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.159194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.159194 (E_RNA) where: Base-Base interactions energy: -20.551 where: short stacking energy: -20.551 Base-Backbone interact. energy: -0.001 local terms energy: -37.607817 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -9.478 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -6.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -62.116172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.116172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.116172 (E_RNA) where: Base-Base interactions energy: -32.565 where: short stacking energy: -18.785 Base-Backbone interact. energy: -0.005 local terms energy: -29.546462 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -9.210 flat angles P-C4'-P energy: -0.942 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -55.422845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.422845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.422845 (E_RNA) where: Base-Base interactions energy: -32.336 where: short stacking energy: -20.258 Base-Backbone interact. energy: -0.032 local terms energy: -23.054277 where: bonds (distance) C4'-P energy: -2.138 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -0.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -59.235182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.235182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.235182 (E_RNA) where: Base-Base interactions energy: -27.180 where: short stacking energy: -16.313 Base-Backbone interact. energy: -0.007 local terms energy: -32.048166 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -123.432083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.432083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.432083 (E_RNA) where: Base-Base interactions energy: -82.855 where: short stacking energy: -33.202 Base-Backbone interact. energy: -0.000 local terms energy: -40.576210 where: bonds (distance) C4'-P energy: -8.339 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -9.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -115.644889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.644889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.644889 (E_RNA) where: Base-Base interactions energy: -72.173 where: short stacking energy: -32.875 Base-Backbone interact. energy: -0.178 local terms energy: -43.293869 where: bonds (distance) C4'-P energy: -7.247 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -9.673 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -9.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -116.745979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.745979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.745979 (E_RNA) where: Base-Base interactions energy: -73.843 where: short stacking energy: -32.454 Base-Backbone interact. energy: -0.003 local terms energy: -42.900749 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -9.152 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -7.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -105.863990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.863990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.863990 (E_RNA) where: Base-Base interactions energy: -65.792 where: short stacking energy: -24.999 Base-Backbone interact. energy: -0.253 local terms energy: -39.818798 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -9.489 flat angles P-C4'-P energy: -2.402 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: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -106.898660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.898660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.898660 (E_RNA) where: Base-Base interactions energy: -70.046 where: short stacking energy: -26.327 Base-Backbone interact. energy: -0.412 local terms energy: -36.440528 where: bonds (distance) C4'-P energy: -7.764 bonds (distance) P-C4' energy: -11.600 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -3.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -59.018796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.018796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.018796 (E_RNA) where: Base-Base interactions energy: -29.864 where: short stacking energy: -22.716 Base-Backbone interact. energy: 3.106 local terms energy: -32.261446 where: bonds (distance) C4'-P energy: -8.066 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -2.226 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -102.043147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.043147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.043147 (E_RNA) where: Base-Base interactions energy: -62.960 where: short stacking energy: -27.554 Base-Backbone interact. energy: -0.001 local terms energy: -39.082149 where: bonds (distance) C4'-P energy: -9.771 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -6.091 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: 55 Temperature: 1.250000 Total energy: -50.260797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.260797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.260797 (E_RNA) where: Base-Base interactions energy: -22.783 where: short stacking energy: -12.479 Base-Backbone interact. energy: -0.113 local terms energy: -27.364973 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -1.127 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: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -49.367601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.367601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.367601 (E_RNA) where: Base-Base interactions energy: -19.809 where: short stacking energy: -11.865 Base-Backbone interact. energy: -0.326 local terms energy: -29.232723 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -1.712 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -60.784408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.784408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.784408 (E_RNA) where: Base-Base interactions energy: -29.894 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.383 local terms energy: -30.506817 where: bonds (distance) C4'-P energy: -10.748 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -0.725 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -118.661551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.661551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.661551 (E_RNA) where: Base-Base interactions energy: -74.148 where: short stacking energy: -34.647 Base-Backbone interact. energy: -0.032 local terms energy: -44.481375 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -9.697 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -12.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -121.519636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.519636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.519636 (E_RNA) where: Base-Base interactions energy: -78.470 where: short stacking energy: -36.108 Base-Backbone interact. energy: -0.010 local terms energy: -43.039226 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -9.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -115.622105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.622105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.622105 (E_RNA) where: Base-Base interactions energy: -73.560 where: short stacking energy: -35.805 Base-Backbone interact. energy: -0.001 local terms energy: -42.061455 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -9.450 flat angles C4'-P-C4' energy: -9.910 flat angles P-C4'-P energy: -8.451 tors. eta vs tors. theta energy: -6.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -118.970602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.970602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.970602 (E_RNA) where: Base-Base interactions energy: -77.943 where: short stacking energy: -36.672 Base-Backbone interact. energy: -0.001 local terms energy: -41.027276 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -9.061 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: 5, replica: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -107.725135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.725135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.725135 (E_RNA) where: Base-Base interactions energy: -74.559 where: short stacking energy: -29.577 Base-Backbone interact. energy: -0.002 local terms energy: -33.164586 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -0.129 tors. eta vs tors. theta energy: -5.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -58.442596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.442596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.442596 (E_RNA) where: Base-Base interactions energy: -24.183 where: short stacking energy: -24.183 Base-Backbone interact. energy: -0.075 local terms energy: -34.184058 where: bonds (distance) C4'-P energy: -8.640 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -4.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -85.375604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.375604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.375604 (E_RNA) where: Base-Base interactions energy: -47.449 where: short stacking energy: -29.943 Base-Backbone interact. energy: -0.021 local terms energy: -37.906184 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -8.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -54.316079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.316079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.316079 (E_RNA) where: Base-Base interactions energy: -23.511 where: short stacking energy: -15.118 Base-Backbone interact. energy: -0.026 local terms energy: -30.778502 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -10.352 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: 0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -50.082139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.082139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.082139 (E_RNA) where: Base-Base interactions energy: -17.350 where: short stacking energy: -17.350 Base-Backbone interact. energy: -0.119 local terms energy: -32.613500 where: bonds (distance) C4'-P energy: -8.819 bonds (distance) P-C4' energy: -5.159 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -5.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -51.386660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.386660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.386660 (E_RNA) where: Base-Base interactions energy: -19.235 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.006 local terms energy: -32.145347 where: bonds (distance) C4'-P energy: -8.596 bonds (distance) P-C4' energy: -6.430 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -7.804 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -124.636923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.636923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.636923 (E_RNA) where: Base-Base interactions energy: -87.663 where: short stacking energy: -39.366 Base-Backbone interact. energy: -0.005 local terms energy: -36.968985 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: 0.894 tors. eta vs tors. theta energy: -11.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -117.631501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.631501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.631501 (E_RNA) where: Base-Base interactions energy: -86.797 where: short stacking energy: -35.137 Base-Backbone interact. energy: -0.026 local terms energy: -30.808390 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: 2.482 tors. eta vs tors. theta energy: -8.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -110.899294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.899294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.899294 (E_RNA) where: Base-Base interactions energy: -71.908 where: short stacking energy: -33.630 Base-Backbone interact. energy: -0.013 local terms energy: -38.977717 where: bonds (distance) C4'-P energy: -7.457 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -7.786 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -7.888 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: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -108.231434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.231434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.231434 (E_RNA) where: Base-Base interactions energy: -77.347 where: short stacking energy: -32.246 Base-Backbone interact. energy: -0.003 local terms energy: -30.881318 where: bonds (distance) C4'-P energy: -7.515 bonds (distance) P-C4' energy: -7.445 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: 0.861 tors. eta vs tors. theta energy: -8.356 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: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -104.173026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.173026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.173026 (E_RNA) where: Base-Base interactions energy: -68.208 where: short stacking energy: -24.623 Base-Backbone interact. energy: -0.018 local terms energy: -35.946980 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -6.230 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -5.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -58.484680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.484680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.484680 (E_RNA) where: Base-Base interactions energy: -23.941 where: short stacking energy: -20.267 Base-Backbone interact. energy: -0.002 local terms energy: -34.541297 where: bonds (distance) C4'-P energy: -8.472 bonds (distance) P-C4' energy: -8.818 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -55.098848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.098848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.098848 (E_RNA) where: Base-Base interactions energy: -27.164 where: short stacking energy: -8.021 Base-Backbone interact. energy: -0.183 local terms energy: -27.751587 where: bonds (distance) C4'-P energy: -8.940 bonds (distance) P-C4' energy: -6.754 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -55.693327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.693327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.693327 (E_RNA) where: Base-Base interactions energy: -22.703 where: short stacking energy: -14.132 Base-Backbone interact. energy: -0.053 local terms energy: -32.938090 where: bonds (distance) C4'-P energy: -8.410 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -9.347 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -52.027208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.027208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.027208 (E_RNA) where: Base-Base interactions energy: -21.912 where: short stacking energy: -13.595 Base-Backbone interact. energy: 1.485 local terms energy: -31.600061 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -9.246 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -54.940026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.940026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.940026 (E_RNA) where: Base-Base interactions energy: -26.514 where: short stacking energy: -15.484 Base-Backbone interact. energy: 0.182 local terms energy: -28.607955 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: 1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -116.929858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.929858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.929858 (E_RNA) where: Base-Base interactions energy: -79.629 where: short stacking energy: -31.338 Base-Backbone interact. energy: -0.007 local terms energy: -37.293763 where: bonds (distance) C4'-P energy: -8.630 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -9.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -118.561299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.561299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.561299 (E_RNA) where: Base-Base interactions energy: -77.207 where: short stacking energy: -30.005 Base-Backbone interact. energy: -0.010 local terms energy: -41.345214 where: bonds (distance) C4'-P energy: -9.308 bonds (distance) P-C4' energy: -10.413 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -2.105 tors. eta vs tors. theta energy: -11.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -114.046543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.046543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.046543 (E_RNA) where: Base-Base interactions energy: -71.848 where: short stacking energy: -35.062 Base-Backbone interact. energy: -0.910 local terms energy: -41.288791 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -7.264 tors. eta vs tors. theta energy: -8.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -108.524650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.524650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.524650 (E_RNA) where: Base-Base interactions energy: -66.026 where: short stacking energy: -30.340 Base-Backbone interact. energy: -0.218 local terms energy: -42.280754 where: bonds (distance) C4'-P energy: -8.640 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -9.867 flat angles P-C4'-P energy: -6.977 tors. eta vs tors. theta energy: -7.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -93.971453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.971453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.971453 (E_RNA) where: Base-Base interactions energy: -57.373 where: short stacking energy: -24.594 Base-Backbone interact. energy: -0.274 local terms energy: -36.324831 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -69.582502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.582502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.582502 (E_RNA) where: Base-Base interactions energy: -36.991 where: short stacking energy: -18.661 Base-Backbone interact. energy: -0.631 local terms energy: -31.961012 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -9.070 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: 0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -59.590462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.590462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.590462 (E_RNA) where: Base-Base interactions energy: -29.218 where: short stacking energy: -18.872 Base-Backbone interact. energy: -0.080 local terms energy: -30.292596 where: bonds (distance) C4'-P energy: -8.572 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -52.644027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.644027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.644027 (E_RNA) where: Base-Base interactions energy: -24.892 where: short stacking energy: -15.920 Base-Backbone interact. energy: -0.519 local terms energy: -27.232768 where: bonds (distance) C4'-P energy: -7.974 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: 0.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -53.241621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.241621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.241621 (E_RNA) where: Base-Base interactions energy: -18.973 where: short stacking energy: -18.973 Base-Backbone interact. energy: -0.004 local terms energy: -34.264236 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -6.802 flat angles C4'-P-C4' energy: -9.481 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -6.516 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: 58 Temperature: 1.350000 Total energy: -48.331684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.331684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.331684 (E_RNA) where: Base-Base interactions energy: -19.483 where: short stacking energy: -19.483 Base-Backbone interact. energy: -0.099 local terms energy: -28.750035 where: bonds (distance) C4'-P energy: -7.913 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -122.727404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.727404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.727404 (E_RNA) where: Base-Base interactions energy: -90.720 where: short stacking energy: -32.161 Base-Backbone interact. energy: -0.012 local terms energy: -31.995017 where: bonds (distance) C4'-P energy: -8.969 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -2.486 tors. eta vs tors. theta energy: -4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -113.631046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.631046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.631046 (E_RNA) where: Base-Base interactions energy: -74.900 where: short stacking energy: -33.019 Base-Backbone interact. energy: -0.050 local terms energy: -38.681619 where: bonds (distance) C4'-P energy: -6.041 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -116.429005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.429005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.429005 (E_RNA) where: Base-Base interactions energy: -78.632 where: short stacking energy: -29.662 Base-Backbone interact. energy: 0.534 local terms energy: -38.331047 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -10.122 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -8.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -115.827377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.827377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.827377 (E_RNA) where: Base-Base interactions energy: -82.107 where: short stacking energy: -29.201 Base-Backbone interact. energy: -0.001 local terms energy: -33.719817 where: bonds (distance) C4'-P energy: -7.350 bonds (distance) P-C4' energy: -9.044 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -8.291 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: 59 Temperature: 1.100000 Total energy: -75.753937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.753937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.753937 (E_RNA) where: Base-Base interactions energy: -38.647 where: short stacking energy: -21.002 Base-Backbone interact. energy: -0.633 local terms energy: -36.473122 where: bonds (distance) C4'-P energy: -8.153 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -6.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -72.108946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.108946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.108946 (E_RNA) where: Base-Base interactions energy: -31.298 where: short stacking energy: -30.370 Base-Backbone interact. energy: -0.009 local terms energy: -40.802096 where: bonds (distance) C4'-P energy: -6.330 bonds (distance) P-C4' energy: -9.521 flat angles C4'-P-C4' energy: -9.397 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -8.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -67.662767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.662767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.662767 (E_RNA) where: Base-Base interactions energy: -33.752 where: short stacking energy: -21.716 Base-Backbone interact. energy: 0.394 local terms energy: -34.304662 where: bonds (distance) C4'-P energy: -7.051 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -5.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -73.450444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.450444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.450444 (E_RNA) where: Base-Base interactions energy: -47.046 where: short stacking energy: -18.953 Base-Backbone interact. energy: -0.436 local terms energy: -25.968031 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -51.143993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.143993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.143993 (E_RNA) where: Base-Base interactions energy: -15.806 where: short stacking energy: -15.806 Base-Backbone interact. energy: -1.106 local terms energy: -34.231511 where: bonds (distance) C4'-P energy: -8.733 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -7.955 tors. eta vs tors. theta energy: 0.411 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: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -48.808028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.808028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.808028 (E_RNA) where: Base-Base interactions energy: -19.351 where: short stacking energy: -16.431 Base-Backbone interact. energy: -0.013 local terms energy: -29.443637 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -10.041 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -124.573688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.573688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.573688 (E_RNA) where: Base-Base interactions energy: -83.731 where: short stacking energy: -31.903 Base-Backbone interact. energy: -0.343 local terms energy: -40.499953 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -118.818684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.818684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.818684 (E_RNA) where: Base-Base interactions energy: -76.932 where: short stacking energy: -31.452 Base-Backbone interact. energy: -0.639 local terms energy: -41.248378 where: bonds (distance) C4'-P energy: -6.765 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -11.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -115.788794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.788794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.788794 (E_RNA) where: Base-Base interactions energy: -78.381 where: short stacking energy: -30.099 Base-Backbone interact. energy: -0.008 local terms energy: -37.400236 where: bonds (distance) C4'-P energy: -9.795 bonds (distance) P-C4' energy: -10.820 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -112.148214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.148214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.148214 (E_RNA) where: Base-Base interactions energy: -81.166 where: short stacking energy: -29.846 Base-Backbone interact. energy: -0.022 local terms energy: -30.960349 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: 0.769 tors. eta vs tors. theta energy: -8.095 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: 60 Temperature: 1.100000 Total energy: -70.971375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.971375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.971375 (E_RNA) where: Base-Base interactions energy: -28.437 where: short stacking energy: -24.844 Base-Backbone interact. energy: -0.109 local terms energy: -42.425520 where: bonds (distance) C4'-P energy: -8.608 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -10.290 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -5.985 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: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -67.535440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.535440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.535440 (E_RNA) where: Base-Base interactions energy: -34.881 where: short stacking energy: -17.298 Base-Backbone interact. energy: -0.019 local terms energy: -32.635453 where: bonds (distance) C4'-P energy: -9.030 bonds (distance) P-C4' energy: -8.230 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -3.084 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: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -51.491082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.491082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.491082 (E_RNA) where: Base-Base interactions energy: -20.939 where: short stacking energy: -9.451 Base-Backbone interact. energy: -0.370 local terms energy: -30.181956 where: bonds (distance) C4'-P energy: -5.052 bonds (distance) P-C4' energy: -9.380 flat angles C4'-P-C4' energy: -9.435 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: 0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -52.033820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.033820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.033820 (E_RNA) where: Base-Base interactions energy: -21.492 where: short stacking energy: -21.203 Base-Backbone interact. energy: -0.001 local terms energy: -30.541027 where: bonds (distance) C4'-P energy: -8.000 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -2.330 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: 60 Temperature: 1.300000 Total energy: -55.494761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.494761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.494761 (E_RNA) where: Base-Base interactions energy: -19.700 where: short stacking energy: -13.291 Base-Backbone interact. energy: -0.045 local terms energy: -35.749272 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -8.597 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: -0.262 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: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -48.540799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.540799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.540799 (E_RNA) where: Base-Base interactions energy: -18.840 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.219 local terms energy: -29.482081 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: 3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -116.132129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.132129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.132129 (E_RNA) where: Base-Base interactions energy: -74.090 where: short stacking energy: -34.810 Base-Backbone interact. energy: -0.082 local terms energy: -41.960173 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -8.975 flat angles C4'-P-C4' energy: -9.352 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -8.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -116.784714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.784714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.784714 (E_RNA) where: Base-Base interactions energy: -78.385 where: short stacking energy: -33.175 Base-Backbone interact. energy: -0.087 local terms energy: -38.312888 where: bonds (distance) C4'-P energy: -7.644 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -10.020 flat angles P-C4'-P energy: -0.288 tors. eta vs tors. theta energy: -9.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -119.385626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.385626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.385626 (E_RNA) where: Base-Base interactions energy: -76.835 where: short stacking energy: -31.819 Base-Backbone interact. energy: 0.566 local terms energy: -43.117141 where: bonds (distance) C4'-P energy: -8.128 bonds (distance) P-C4' energy: -9.055 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -11.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -110.746538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.746538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.746538 (E_RNA) where: Base-Base interactions energy: -79.305 where: short stacking energy: -34.999 Base-Backbone interact. energy: -0.001 local terms energy: -31.440956 where: bonds (distance) C4'-P energy: -9.374 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -1.306 tors. eta vs tors. theta energy: -5.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -104.219500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.219500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.219500 (E_RNA) where: Base-Base interactions energy: -66.867 where: short stacking energy: -26.376 Base-Backbone interact. energy: -0.024 local terms energy: -37.328200 where: bonds (distance) C4'-P energy: -8.268 bonds (distance) P-C4' energy: -9.711 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -56.646248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.646248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.646248 (E_RNA) where: Base-Base interactions energy: -23.698 where: short stacking energy: -18.253 Base-Backbone interact. energy: -0.135 local terms energy: -32.812936 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -0.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -59.022978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.022978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.022978 (E_RNA) where: Base-Base interactions energy: -22.918 where: short stacking energy: -22.918 Base-Backbone interact. energy: -0.050 local terms energy: -36.054467 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -9.245 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -4.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -54.523597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.523597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.523597 (E_RNA) where: Base-Base interactions energy: -23.788 where: short stacking energy: -18.904 Base-Backbone interact. energy: 0.338 local terms energy: -31.074227 where: bonds (distance) C4'-P energy: -8.604 bonds (distance) P-C4' energy: -8.699 flat angles C4'-P-C4' energy: -9.874 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -57.402236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.402236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.402236 (E_RNA) where: Base-Base interactions energy: -24.106 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.210 local terms energy: -33.086587 where: bonds (distance) C4'-P energy: -9.068 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -8.436 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: 0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -54.632915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.632915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.632915 (E_RNA) where: Base-Base interactions energy: -20.724 where: short stacking energy: -20.724 Base-Backbone interact. energy: -0.238 local terms energy: -33.670747 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -114.238202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.238202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.238202 (E_RNA) where: Base-Base interactions energy: -70.772 where: short stacking energy: -33.014 Base-Backbone interact. energy: -0.011 local terms energy: -43.455090 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -9.982 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -6.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -119.267602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.267602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.267602 (E_RNA) where: Base-Base interactions energy: -75.466 where: short stacking energy: -36.501 Base-Backbone interact. energy: -0.002 local terms energy: -43.799109 where: bonds (distance) C4'-P energy: -8.066 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -10.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -114.456087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.456087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.456087 (E_RNA) where: Base-Base interactions energy: -77.960 where: short stacking energy: -32.278 Base-Backbone interact. energy: -0.006 local terms energy: -36.489921 where: bonds (distance) C4'-P energy: -7.553 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -110.367069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.367069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.367069 (E_RNA) where: Base-Base interactions energy: -69.297 where: short stacking energy: -28.982 Base-Backbone interact. energy: -0.105 local terms energy: -40.964608 where: bonds (distance) C4'-P energy: -9.166 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -7.748 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: 5, replica: 10 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -63.370502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.370502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.370502 (E_RNA) where: Base-Base interactions energy: -29.260 where: short stacking energy: -22.715 Base-Backbone interact. energy: -0.003 local terms energy: -34.107786 where: bonds (distance) C4'-P energy: -7.420 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -105.065779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.065779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.065779 (E_RNA) where: Base-Base interactions energy: -73.048 where: short stacking energy: -33.095 Base-Backbone interact. energy: -0.005 local terms energy: -32.013208 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -9.922 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -7.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -61.818614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.818614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.818614 (E_RNA) where: Base-Base interactions energy: -26.679 where: short stacking energy: -24.605 Base-Backbone interact. energy: -0.017 local terms energy: -35.122416 where: bonds (distance) C4'-P energy: -9.458 bonds (distance) P-C4' energy: -8.607 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -54.061487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.061487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.061487 (E_RNA) where: Base-Base interactions energy: -16.162 where: short stacking energy: -16.162 Base-Backbone interact. energy: -0.017 local terms energy: -37.882953 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -9.530 flat angles P-C4'-P energy: -6.579 tors. eta vs tors. theta energy: -1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -45.832428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.832428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.832428 (E_RNA) where: Base-Base interactions energy: -12.282 where: short stacking energy: -12.117 Base-Backbone interact. energy: -0.064 local terms energy: -33.486689 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -8.678 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -8.744 tors. eta vs tors. theta energy: -1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -48.393437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.393437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.393437 (E_RNA) where: Base-Base interactions energy: -15.997 where: short stacking energy: -15.997 Base-Backbone interact. energy: -0.015 local terms energy: -32.382034 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -115.872226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.872226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.872226 (E_RNA) where: Base-Base interactions energy: -74.869 where: short stacking energy: -31.032 Base-Backbone interact. energy: -0.003 local terms energy: -41.000758 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -6.693 tors. eta vs tors. theta energy: -7.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -112.235096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.235096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.235096 (E_RNA) where: Base-Base interactions energy: -75.329 where: short stacking energy: -33.317 Base-Backbone interact. energy: -0.001 local terms energy: -36.905261 where: bonds (distance) C4'-P energy: -6.465 bonds (distance) P-C4' energy: -9.060 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -6.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -116.959832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.959832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.959832 (E_RNA) where: Base-Base interactions energy: -71.708 where: short stacking energy: -30.384 Base-Backbone interact. energy: -0.686 local terms energy: -44.566345 where: bonds (distance) C4'-P energy: -9.204 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -8.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -116.601794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.601794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.601794 (E_RNA) where: Base-Base interactions energy: -80.945 where: short stacking energy: -34.419 Base-Backbone interact. energy: -0.001 local terms energy: -35.656693 where: bonds (distance) C4'-P energy: -4.700 bonds (distance) P-C4' energy: -8.558 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -10.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -75.293062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.293062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.293062 (E_RNA) where: Base-Base interactions energy: -34.239 where: short stacking energy: -34.239 Base-Backbone interact. energy: -0.010 local terms energy: -41.043706 where: bonds (distance) C4'-P energy: -9.387 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -9.448 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -7.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -106.733877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.733877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.733877 (E_RNA) where: Base-Base interactions energy: -69.697 where: short stacking energy: -20.598 Base-Backbone interact. energy: -0.076 local terms energy: -36.960912 where: bonds (distance) C4'-P energy: -8.724 bonds (distance) P-C4' energy: -5.195 flat angles C4'-P-C4' energy: -10.319 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -5.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -52.591884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.591884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.591884 (E_RNA) where: Base-Base interactions energy: -18.560 where: short stacking energy: -17.655 Base-Backbone interact. energy: -0.099 local terms energy: -33.932134 where: bonds (distance) C4'-P energy: -8.588 bonds (distance) P-C4' energy: -9.634 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -49.382833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.382833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.382833 (E_RNA) where: Base-Base interactions energy: -17.428 where: short stacking energy: -16.744 Base-Backbone interact. energy: -0.028 local terms energy: -31.927118 where: bonds (distance) C4'-P energy: -7.779 bonds (distance) P-C4' energy: -9.380 flat angles C4'-P-C4' energy: -8.202 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -1.197 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: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -51.214201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.214201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.214201 (E_RNA) where: Base-Base interactions energy: -19.057 where: short stacking energy: -12.104 Base-Backbone interact. energy: -0.646 local terms energy: -31.511384 where: bonds (distance) C4'-P energy: -9.139 bonds (distance) P-C4' energy: -3.952 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -55.357294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.357294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.357294 (E_RNA) where: Base-Base interactions energy: -20.214 where: short stacking energy: -16.649 Base-Backbone interact. energy: -0.023 local terms energy: -35.120152 where: bonds (distance) C4'-P energy: -5.748 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -120.479922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.479922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.479922 (E_RNA) where: Base-Base interactions energy: -81.860 where: short stacking energy: -32.467 Base-Backbone interact. energy: -0.030 local terms energy: -38.589783 where: bonds (distance) C4'-P energy: -9.717 bonds (distance) P-C4' energy: -10.302 flat angles C4'-P-C4' energy: -9.533 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -6.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -113.816212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.816212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.816212 (E_RNA) where: Base-Base interactions energy: -70.462 where: short stacking energy: -30.367 Base-Backbone interact. energy: -0.513 local terms energy: -42.841821 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -10.097 flat angles C4'-P-C4' energy: -9.555 flat angles P-C4'-P energy: -7.942 tors. eta vs tors. theta energy: -5.708 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: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -113.097744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.097744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.097744 (E_RNA) where: Base-Base interactions energy: -68.653 where: short stacking energy: -26.351 Base-Backbone interact. energy: -0.420 local terms energy: -44.024734 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -9.408 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -9.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -115.548182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.548182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.548182 (E_RNA) where: Base-Base interactions energy: -73.908 where: short stacking energy: -32.840 Base-Backbone interact. energy: -0.644 local terms energy: -40.995512 where: bonds (distance) C4'-P energy: -9.387 bonds (distance) P-C4' energy: -10.196 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -7.752 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: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -114.945764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.945764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.945764 (E_RNA) where: Base-Base interactions energy: -76.207 where: short stacking energy: -30.116 Base-Backbone interact. energy: -0.002 local terms energy: -38.737227 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -9.804 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -9.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -54.419991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.419991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.419991 (E_RNA) where: Base-Base interactions energy: -16.378 where: short stacking energy: -16.378 Base-Backbone interact. energy: -0.060 local terms energy: -37.981775 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -9.669 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -55.019476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.019476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.019476 (E_RNA) where: Base-Base interactions energy: -21.990 where: short stacking energy: -9.123 Base-Backbone interact. energy: -0.103 local terms energy: -32.927007 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -5.455 flat angles C4'-P-C4' energy: -8.805 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -59.422373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.422373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.422373 (E_RNA) where: Base-Base interactions energy: -27.780 where: short stacking energy: -17.753 Base-Backbone interact. energy: -0.044 local terms energy: -31.598553 where: bonds (distance) C4'-P energy: -6.369 bonds (distance) P-C4' energy: -10.101 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -52.035131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.035131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.035131 (E_RNA) where: Base-Base interactions energy: -22.123 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.067 local terms energy: -29.845396 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -9.317 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: 2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -50.047510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.047510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.047510 (E_RNA) where: Base-Base interactions energy: -22.604 where: short stacking energy: -13.098 Base-Backbone interact. energy: -1.242 local terms energy: -26.201019 where: bonds (distance) C4'-P energy: -7.383 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: 2.117 tors. eta vs tors. theta energy: -3.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -114.638597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.638597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.638597 (E_RNA) where: Base-Base interactions energy: -76.213 where: short stacking energy: -33.661 Base-Backbone interact. energy: -0.876 local terms energy: -37.549524 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -8.026 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -6.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -115.259977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.259977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.259977 (E_RNA) where: Base-Base interactions energy: -75.694 where: short stacking energy: -33.942 Base-Backbone interact. energy: -0.866 local terms energy: -38.700578 where: bonds (distance) C4'-P energy: -5.888 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -9.105 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -10.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -107.862059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.862059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.862059 (E_RNA) where: Base-Base interactions energy: -72.499 where: short stacking energy: -29.901 Base-Backbone interact. energy: -0.005 local terms energy: -35.357432 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -110.314432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.314432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.314432 (E_RNA) where: Base-Base interactions energy: -74.176 where: short stacking energy: -32.424 Base-Backbone interact. energy: -0.053 local terms energy: -36.085161 where: bonds (distance) C4'-P energy: -5.449 bonds (distance) P-C4' energy: -10.125 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -8.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -114.535259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.535259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.535259 (E_RNA) where: Base-Base interactions energy: -79.556 where: short stacking energy: -29.335 Base-Backbone interact. energy: -0.037 local terms energy: -34.942458 where: bonds (distance) C4'-P energy: -9.394 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -65.388759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.388759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.388759 (E_RNA) where: Base-Base interactions energy: -27.293 where: short stacking energy: -18.607 Base-Backbone interact. energy: -0.056 local terms energy: -38.040603 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -8.521 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -5.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -56.794121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.794121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.794121 (E_RNA) where: Base-Base interactions energy: -28.265 where: short stacking energy: -18.528 Base-Backbone interact. energy: -0.034 local terms energy: -28.494647 where: bonds (distance) C4'-P energy: -3.988 bonds (distance) P-C4' energy: -9.619 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -3.683 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: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -57.711158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.711158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.711158 (E_RNA) where: Base-Base interactions energy: -23.342 where: short stacking energy: -14.420 Base-Backbone interact. energy: -0.105 local terms energy: -34.264096 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -10.337 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -1.122 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: 65 Temperature: 1.300000 Total energy: -47.571389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.571389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.571389 (E_RNA) where: Base-Base interactions energy: -20.992 where: short stacking energy: -17.564 Base-Backbone interact. energy: -0.110 local terms energy: -26.468944 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -8.838 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -53.628963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.628963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.628963 (E_RNA) where: Base-Base interactions energy: -19.479 where: short stacking energy: -19.479 Base-Backbone interact. energy: -0.000 local terms energy: -34.149482 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -7.639 tors. eta vs tors. theta energy: -5.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -122.882613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.882613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.882613 (E_RNA) where: Base-Base interactions energy: -81.645 where: short stacking energy: -33.189 Base-Backbone interact. energy: -0.000 local terms energy: -41.237496 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -10.934 flat angles P-C4'-P energy: -1.428 tors. eta vs tors. theta energy: -10.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -111.314277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.314277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.314277 (E_RNA) where: Base-Base interactions energy: -76.385 where: short stacking energy: -35.906 Base-Backbone interact. energy: -0.018 local terms energy: -34.911933 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -3.421 flat angles C4'-P-C4' energy: -9.543 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -5.769 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: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -105.914251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.914251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.914251 (E_RNA) where: Base-Base interactions energy: -71.954 where: short stacking energy: -30.307 Base-Backbone interact. energy: 0.718 local terms energy: -34.678449 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -10.376 flat angles C4'-P-C4' energy: -9.878 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -103.015686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.015686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.015686 (E_RNA) where: Base-Base interactions energy: -64.948 where: short stacking energy: -28.061 Base-Backbone interact. energy: -0.014 local terms energy: -38.053883 where: bonds (distance) C4'-P energy: -6.451 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -8.744 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: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -110.785746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.785746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.785746 (E_RNA) where: Base-Base interactions energy: -70.456 where: short stacking energy: -26.034 Base-Backbone interact. energy: -0.389 local terms energy: -39.941245 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -63.951718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.951718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.951718 (E_RNA) where: Base-Base interactions energy: -28.893 where: short stacking energy: -22.287 Base-Backbone interact. energy: -0.112 local terms energy: -34.946559 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -9.435 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -7.182 tors. eta vs tors. theta energy: -5.591 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: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -54.792764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.792764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.792764 (E_RNA) where: Base-Base interactions energy: -17.990 where: short stacking energy: -17.990 Base-Backbone interact. energy: -0.084 local terms energy: -36.718957 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -66.960697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.960697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.960697 (E_RNA) where: Base-Base interactions energy: -36.076 where: short stacking energy: -28.430 Base-Backbone interact. energy: -0.233 local terms energy: -30.651655 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -50.040926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.040926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.040926 (E_RNA) where: Base-Base interactions energy: -15.926 where: short stacking energy: -14.393 Base-Backbone interact. energy: -0.118 local terms energy: -33.996817 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -10.598 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -3.335 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: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -48.626712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.626712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.626712 (E_RNA) where: Base-Base interactions energy: -26.263 where: short stacking energy: -19.723 Base-Backbone interact. energy: -0.489 local terms energy: -21.874748 where: bonds (distance) C4'-P energy: -3.189 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -2.596 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -122.359463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.359463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.359463 (E_RNA) where: Base-Base interactions energy: -86.815 where: short stacking energy: -33.033 Base-Backbone interact. energy: -0.077 local terms energy: -35.467048 where: bonds (distance) C4'-P energy: -8.405 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -9.892 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -107.560694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.560694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.560694 (E_RNA) where: Base-Base interactions energy: -68.693 where: short stacking energy: -24.343 Base-Backbone interact. energy: -0.173 local terms energy: -38.694566 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -7.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -112.170382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.170382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.170382 (E_RNA) where: Base-Base interactions energy: -71.456 where: short stacking energy: -29.363 Base-Backbone interact. energy: -0.002 local terms energy: -40.711756 where: bonds (distance) C4'-P energy: -8.923 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -8.521 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -7.304 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: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -104.072996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.072996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.072996 (E_RNA) where: Base-Base interactions energy: -64.787 where: short stacking energy: -26.010 Base-Backbone interact. energy: -0.301 local terms energy: -38.984731 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -11.597 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -6.904 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: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -75.724530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.724530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.724530 (E_RNA) where: Base-Base interactions energy: -36.436 where: short stacking energy: -31.785 Base-Backbone interact. energy: -0.002 local terms energy: -39.286071 where: bonds (distance) C4'-P energy: -6.734 bonds (distance) P-C4' energy: -9.917 flat angles C4'-P-C4' energy: -10.676 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -7.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -58.831161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.831161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.831161 (E_RNA) where: Base-Base interactions energy: -24.157 where: short stacking energy: -22.731 Base-Backbone interact. energy: -0.084 local terms energy: -34.590908 where: bonds (distance) C4'-P energy: -8.178 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -10.281 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -59.702414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.702414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.702414 (E_RNA) where: Base-Base interactions energy: -29.167 where: short stacking energy: -29.167 Base-Backbone interact. energy: -0.005 local terms energy: -30.529980 where: bonds (distance) C4'-P energy: -4.324 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -54.272765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.272765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.272765 (E_RNA) where: Base-Base interactions energy: -21.050 where: short stacking energy: -14.445 Base-Backbone interact. energy: -0.277 local terms energy: -32.946022 where: bonds (distance) C4'-P energy: -8.216 bonds (distance) P-C4' energy: -9.404 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -54.647321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.647321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.647321 (E_RNA) where: Base-Base interactions energy: -26.457 where: short stacking energy: -15.543 Base-Backbone interact. energy: -0.193 local terms energy: -27.997070 where: bonds (distance) C4'-P energy: -7.504 bonds (distance) P-C4' energy: -7.000 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: 1.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -54.332367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.332367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.332367 (E_RNA) where: Base-Base interactions energy: -24.131 where: short stacking energy: -24.131 Base-Backbone interact. energy: -0.023 local terms energy: -30.178664 where: bonds (distance) C4'-P energy: -3.132 bonds (distance) P-C4' energy: -8.012 flat angles C4'-P-C4' energy: -8.009 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -112.085649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.085649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.085649 (E_RNA) where: Base-Base interactions energy: -76.737 where: short stacking energy: -31.315 Base-Backbone interact. energy: -0.002 local terms energy: -35.347242 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -9.918 flat angles P-C4'-P energy: -1.345 tors. eta vs tors. theta energy: -5.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -119.284045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.284045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.284045 (E_RNA) where: Base-Base interactions energy: -87.558 where: short stacking energy: -32.090 Base-Backbone interact. energy: -0.047 local terms energy: -31.679434 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -113.494586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.494586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.494586 (E_RNA) where: Base-Base interactions energy: -76.412 where: short stacking energy: -31.152 Base-Backbone interact. energy: -1.614 local terms energy: -35.467994 where: bonds (distance) C4'-P energy: -7.859 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -4.766 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: 6 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -112.808923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.808923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.808923 (E_RNA) where: Base-Base interactions energy: -74.341 where: short stacking energy: -30.135 Base-Backbone interact. energy: -0.001 local terms energy: -38.467091 where: bonds (distance) C4'-P energy: -7.702 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -9.604 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -9.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -61.458650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.458650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.458650 (E_RNA) where: Base-Base interactions energy: -26.675 where: short stacking energy: -26.675 Base-Backbone interact. energy: -0.012 local terms energy: -34.771274 where: bonds (distance) C4'-P energy: -7.801 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -8.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -76.926999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.926999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.926999 (E_RNA) where: Base-Base interactions energy: -40.235 where: short stacking energy: -24.539 Base-Backbone interact. energy: -0.188 local terms energy: -36.504530 where: bonds (distance) C4'-P energy: -8.508 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -10.440 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -4.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -57.642297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.642297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.642297 (E_RNA) where: Base-Base interactions energy: -29.746 where: short stacking energy: -23.099 Base-Backbone interact. energy: -0.061 local terms energy: -27.835351 where: bonds (distance) C4'-P energy: -8.224 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -10.338 flat angles P-C4'-P energy: 0.774 tors. eta vs tors. theta energy: -0.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -53.829264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.829264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.829264 (E_RNA) where: Base-Base interactions energy: -21.870 where: short stacking energy: -14.734 Base-Backbone interact. energy: -0.368 local terms energy: -31.591925 where: bonds (distance) C4'-P energy: -8.816 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -2.212 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -47.564374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.564374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.564374 (E_RNA) where: Base-Base interactions energy: -13.928 where: short stacking energy: -13.928 Base-Backbone interact. energy: 0.295 local terms energy: -33.930912 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -10.913 flat angles C4'-P-C4' energy: -8.945 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -54.107153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.107153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.107153 (E_RNA) where: Base-Base interactions energy: -23.610 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.008 local terms energy: -30.489392 where: bonds (distance) C4'-P energy: -5.019 bonds (distance) P-C4' energy: -10.863 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -118.245537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.245537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.245537 (E_RNA) where: Base-Base interactions energy: -71.543 where: short stacking energy: -32.610 Base-Backbone interact. energy: -1.055 local terms energy: -45.647283 where: bonds (distance) C4'-P energy: -6.911 bonds (distance) P-C4' energy: -10.404 flat angles C4'-P-C4' energy: -10.234 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -9.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -114.629572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.629572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.629572 (E_RNA) where: Base-Base interactions energy: -75.515 where: short stacking energy: -28.866 Base-Backbone interact. energy: -0.104 local terms energy: -39.009805 where: bonds (distance) C4'-P energy: -5.884 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -8.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -107.614893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.614893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.614893 (E_RNA) where: Base-Base interactions energy: -66.248 where: short stacking energy: -27.838 Base-Backbone interact. energy: -0.003 local terms energy: -41.363853 where: bonds (distance) C4'-P energy: -8.728 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -8.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -115.789325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.789325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.789325 (E_RNA) where: Base-Base interactions energy: -74.424 where: short stacking energy: -32.618 Base-Backbone interact. energy: -0.178 local terms energy: -41.187496 where: bonds (distance) C4'-P energy: -9.038 bonds (distance) P-C4' energy: -7.718 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -10.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -58.633406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.633406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.633406 (E_RNA) where: Base-Base interactions energy: -33.177 where: short stacking energy: -24.400 Base-Backbone interact. energy: -0.017 local terms energy: -25.438970 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -9.538 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: 1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -60.870025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.870025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.870025 (E_RNA) where: Base-Base interactions energy: -30.198 where: short stacking energy: -5.883 Base-Backbone interact. energy: -0.300 local terms energy: -30.372260 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -9.267 flat angles C4'-P-C4' energy: -9.347 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: 1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -70.112258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.112258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.112258 (E_RNA) where: Base-Base interactions energy: -38.112 where: short stacking energy: -13.910 Base-Backbone interact. energy: -0.101 local terms energy: -31.898826 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -7.763 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -51.961257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.961257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.961257 (E_RNA) where: Base-Base interactions energy: -19.555 where: short stacking energy: -19.555 Base-Backbone interact. energy: -0.094 local terms energy: -32.312378 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -50.598391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.598391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.598391 (E_RNA) where: Base-Base interactions energy: -14.044 where: short stacking energy: -10.979 Base-Backbone interact. energy: -0.140 local terms energy: -36.413744 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -9.256 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -51.775076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.775076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.775076 (E_RNA) where: Base-Base interactions energy: -15.342 where: short stacking energy: -16.342 Base-Backbone interact. energy: -0.094 local terms energy: -36.339403 where: bonds (distance) C4'-P energy: -8.943 bonds (distance) P-C4' energy: -8.723 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -121.656282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.656282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.656282 (E_RNA) where: Base-Base interactions energy: -83.007 where: short stacking energy: -33.997 Base-Backbone interact. energy: -0.304 local terms energy: -38.344838 where: bonds (distance) C4'-P energy: -8.560 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -9.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -122.886952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.886952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.886952 (E_RNA) where: Base-Base interactions energy: -83.171 where: short stacking energy: -36.862 Base-Backbone interact. energy: -0.010 local terms energy: -39.706514 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -8.460 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -8.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -115.019795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.019795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.019795 (E_RNA) where: Base-Base interactions energy: -78.675 where: short stacking energy: -33.573 Base-Backbone interact. energy: -0.041 local terms energy: -36.303460 where: bonds (distance) C4'-P energy: -8.542 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -0.231 tors. eta vs tors. theta energy: -11.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -108.521112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.521112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.521112 (E_RNA) where: Base-Base interactions energy: -65.862 where: short stacking energy: -28.263 Base-Backbone interact. energy: -0.421 local terms energy: -42.237653 where: bonds (distance) C4'-P energy: -8.754 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -11.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -67.789056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.789056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.789056 (E_RNA) where: Base-Base interactions energy: -34.305 where: short stacking energy: -25.950 Base-Backbone interact. energy: -0.108 local terms energy: -33.376022 where: bonds (distance) C4'-P energy: -8.435 bonds (distance) P-C4' energy: -9.485 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -1.657 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: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -102.485130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.485130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.485130 (E_RNA) where: Base-Base interactions energy: -63.868 where: short stacking energy: -27.403 Base-Backbone interact. energy: -0.025 local terms energy: -38.591971 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -8.843 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -55.312967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.312967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.312967 (E_RNA) where: Base-Base interactions energy: -24.292 where: short stacking energy: -17.569 Base-Backbone interact. energy: -0.000 local terms energy: -31.020984 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -10.109 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -48.532378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.532378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.532378 (E_RNA) where: Base-Base interactions energy: -16.243 where: short stacking energy: -16.243 Base-Backbone interact. energy: -0.041 local terms energy: -32.247629 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -8.840 flat angles P-C4'-P energy: -7.311 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -50.391960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.391960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.391960 (E_RNA) where: Base-Base interactions energy: -16.921 where: short stacking energy: -15.999 Base-Backbone interact. energy: -0.003 local terms energy: -33.467921 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -46.429192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.429192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.429192 (E_RNA) where: Base-Base interactions energy: -16.277 where: short stacking energy: -16.277 Base-Backbone interact. energy: -0.003 local terms energy: -30.149317 where: bonds (distance) C4'-P energy: -8.041 bonds (distance) P-C4' energy: -9.178 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -123.449287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.449287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.449287 (E_RNA) where: Base-Base interactions energy: -88.565 where: short stacking energy: -32.086 Base-Backbone interact. energy: -0.014 local terms energy: -34.871179 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -9.274 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -8.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -112.962546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.962546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.962546 (E_RNA) where: Base-Base interactions energy: -74.623 where: short stacking energy: -31.187 Base-Backbone interact. energy: -0.109 local terms energy: -38.230780 where: bonds (distance) C4'-P energy: -8.757 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -9.686 flat angles P-C4'-P energy: -0.554 tors. eta vs tors. theta energy: -9.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -113.059726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.059726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.059726 (E_RNA) where: Base-Base interactions energy: -77.297 where: short stacking energy: -29.838 Base-Backbone interact. energy: -0.009 local terms energy: -35.753707 where: bonds (distance) C4'-P energy: -7.685 bonds (distance) P-C4' energy: -8.591 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -6.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -68.089358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.089358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.089358 (E_RNA) where: Base-Base interactions energy: -30.609 where: short stacking energy: -19.291 Base-Backbone interact. energy: -0.013 local terms energy: -37.467142 where: bonds (distance) C4'-P energy: -8.162 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -10.156 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -102.110902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.110902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.110902 (E_RNA) where: Base-Base interactions energy: -69.902 where: short stacking energy: -31.120 Base-Backbone interact. energy: 1.605 local terms energy: -33.813798 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -7.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -103.330504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.330504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.330504 (E_RNA) where: Base-Base interactions energy: -67.480 where: short stacking energy: -29.921 Base-Backbone interact. energy: -0.693 local terms energy: -35.157563 where: bonds (distance) C4'-P energy: -7.963 bonds (distance) P-C4' energy: -5.869 flat angles C4'-P-C4' energy: -9.226 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -8.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -58.205924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.205924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.205924 (E_RNA) where: Base-Base interactions energy: -25.662 where: short stacking energy: -25.662 Base-Backbone interact. energy: -0.000 local terms energy: -32.543511 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -51.515598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.515598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.515598 (E_RNA) where: Base-Base interactions energy: -19.358 where: short stacking energy: -18.073 Base-Backbone interact. energy: -0.063 local terms energy: -32.094897 where: bonds (distance) C4'-P energy: -8.488 bonds (distance) P-C4' energy: -9.438 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -55.072851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.072851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.072851 (E_RNA) where: Base-Base interactions energy: -18.227 where: short stacking energy: -18.227 Base-Backbone interact. energy: -0.062 local terms energy: -36.783835 where: bonds (distance) C4'-P energy: -8.393 bonds (distance) P-C4' energy: -9.358 flat angles C4'-P-C4' energy: -10.094 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -42.458510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.458510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.458510 (E_RNA) where: Base-Base interactions energy: -12.364 where: short stacking energy: -12.364 Base-Backbone interact. energy: -0.009 local terms energy: -30.085505 where: bonds (distance) C4'-P energy: -6.033 bonds (distance) P-C4' energy: -9.404 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -119.554829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.554829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.554829 (E_RNA) where: Base-Base interactions energy: -81.129 where: short stacking energy: -36.534 Base-Backbone interact. energy: -1.000 local terms energy: -37.426783 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -7.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -113.445157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.445157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.445157 (E_RNA) where: Base-Base interactions energy: -74.072 where: short stacking energy: -28.083 Base-Backbone interact. energy: -0.388 local terms energy: -38.985568 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -8.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -116.039815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.039815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.039815 (E_RNA) where: Base-Base interactions energy: -87.248 where: short stacking energy: -33.030 Base-Backbone interact. energy: -0.671 local terms energy: -28.121300 where: bonds (distance) C4'-P energy: -2.908 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -6.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -52.755583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.755583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.755583 (E_RNA) where: Base-Base interactions energy: -26.098 where: short stacking energy: -20.993 Base-Backbone interact. energy: -0.177 local terms energy: -26.480717 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -7.073 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -105.693118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.693118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.693118 (E_RNA) where: Base-Base interactions energy: -66.672 where: short stacking energy: -25.731 Base-Backbone interact. energy: -0.517 local terms energy: -38.504425 where: bonds (distance) C4'-P energy: -8.455 bonds (distance) P-C4' energy: -10.405 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -109.357256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.357256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.357256 (E_RNA) where: Base-Base interactions energy: -65.402 where: short stacking energy: -30.896 Base-Backbone interact. energy: -0.003 local terms energy: -43.951948 where: bonds (distance) C4'-P energy: -8.882 bonds (distance) P-C4' energy: -8.217 flat angles C4'-P-C4' energy: -10.133 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -10.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -55.986362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.986362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.986362 (E_RNA) where: Base-Base interactions energy: -29.782 where: short stacking energy: -12.708 Base-Backbone interact. energy: -0.419 local terms energy: -25.785940 where: bonds (distance) C4'-P energy: -4.816 bonds (distance) P-C4' energy: -7.070 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -51.484842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.484842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.484842 (E_RNA) where: Base-Base interactions energy: -18.500 where: short stacking energy: -16.360 Base-Backbone interact. energy: -0.000 local terms energy: -32.984830 where: bonds (distance) C4'-P energy: -5.917 bonds (distance) P-C4' energy: -9.732 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -48.605608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.605608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.605608 (E_RNA) where: Base-Base interactions energy: -27.904 where: short stacking energy: -13.936 Base-Backbone interact. energy: 1.283 local terms energy: -21.984714 where: bonds (distance) C4'-P energy: -4.026 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: 1.627 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: 10, replica: 2 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -51.992837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.992837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.992837 (E_RNA) where: Base-Base interactions energy: -21.119 where: short stacking energy: -21.119 Base-Backbone interact. energy: -0.193 local terms energy: -30.680707 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -10.231 flat angles P-C4'-P energy: -2.209 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -116.189359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.189359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.189359 (E_RNA) where: Base-Base interactions energy: -73.520 where: short stacking energy: -36.048 Base-Backbone interact. energy: -0.001 local terms energy: -42.668282 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -7.954 flat angles C4'-P-C4' energy: -10.126 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -9.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -116.813005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.813005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.813005 (E_RNA) where: Base-Base interactions energy: -75.192 where: short stacking energy: -31.426 Base-Backbone interact. energy: 0.928 local terms energy: -42.548746 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -10.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -109.857835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.857835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.857835 (E_RNA) where: Base-Base interactions energy: -75.475 where: short stacking energy: -31.373 Base-Backbone interact. energy: -0.090 local terms energy: -34.292337 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -9.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -102.395941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.395941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.395941 (E_RNA) where: Base-Base interactions energy: -73.008 where: short stacking energy: -27.998 Base-Backbone interact. energy: -0.004 local terms energy: -29.384038 where: bonds (distance) C4'-P energy: -6.439 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -66.636423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.636423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.636423 (E_RNA) where: Base-Base interactions energy: -28.538 where: short stacking energy: -28.538 Base-Backbone interact. energy: -0.006 local terms energy: -38.092705 where: bonds (distance) C4'-P energy: -8.297 bonds (distance) P-C4' energy: -8.131 flat angles C4'-P-C4' energy: -9.842 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -7.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -105.869444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.869444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.869444 (E_RNA) where: Base-Base interactions energy: -66.533 where: short stacking energy: -31.142 Base-Backbone interact. energy: -0.621 local terms energy: -38.715434 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -8.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -61.373468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.373468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.373468 (E_RNA) where: Base-Base interactions energy: -34.126 where: short stacking energy: -16.999 Base-Backbone interact. energy: -0.270 local terms energy: -26.977649 where: bonds (distance) C4'-P energy: -4.936 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -0.313 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: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -50.817103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.817103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.817103 (E_RNA) where: Base-Base interactions energy: -33.321 where: short stacking energy: -12.382 Base-Backbone interact. energy: 0.282 local terms energy: -17.778444 where: bonds (distance) C4'-P energy: -8.028 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -3.905 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: 3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -48.827797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.827797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.827797 (E_RNA) where: Base-Base interactions energy: -15.370 where: short stacking energy: -15.370 Base-Backbone interact. energy: -0.130 local terms energy: -33.327480 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -8.144 flat angles C4'-P-C4' energy: -9.201 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: 1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -45.166661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.166661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.166661 (E_RNA) where: Base-Base interactions energy: -14.277 where: short stacking energy: -13.412 Base-Backbone interact. energy: -0.096 local terms energy: -30.793444 where: bonds (distance) C4'-P energy: -8.633 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -112.705310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.705310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.705310 (E_RNA) where: Base-Base interactions energy: -72.448 where: short stacking energy: -31.756 Base-Backbone interact. energy: -0.330 local terms energy: -39.926726 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -9.545 flat angles C4'-P-C4' energy: -9.564 flat angles P-C4'-P energy: -6.124 tors. eta vs tors. theta energy: -7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -120.923251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.923251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.923251 (E_RNA) where: Base-Base interactions energy: -75.967 where: short stacking energy: -32.393 Base-Backbone interact. energy: -0.001 local terms energy: -44.954729 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -9.641 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -9.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -109.949236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.949236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.949236 (E_RNA) where: Base-Base interactions energy: -73.758 where: short stacking energy: -25.678 Base-Backbone interact. energy: -0.659 local terms energy: -35.532535 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -110.926093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.926093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.926093 (E_RNA) where: Base-Base interactions energy: -79.327 where: short stacking energy: -31.091 Base-Backbone interact. energy: -0.385 local terms energy: -31.213378 where: bonds (distance) C4'-P energy: -8.144 bonds (distance) P-C4' energy: -7.236 flat angles C4'-P-C4' energy: -6.754 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -106.826187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.826187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.826187 (E_RNA) where: Base-Base interactions energy: -68.585 where: short stacking energy: -28.383 Base-Backbone interact. energy: -0.003 local terms energy: -38.238912 where: bonds (distance) C4'-P energy: -8.563 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -9.427 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -64.516855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.516855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.516855 (E_RNA) where: Base-Base interactions energy: -31.079 where: short stacking energy: -15.576 Base-Backbone interact. energy: -0.039 local terms energy: -33.399102 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -8.632 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -69.142991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.142991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.142991 (E_RNA) where: Base-Base interactions energy: -40.670 where: short stacking energy: -29.041 Base-Backbone interact. energy: -0.003 local terms energy: -28.470713 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -8.161 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -48.220272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.220272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.220272 (E_RNA) where: Base-Base interactions energy: -16.761 where: short stacking energy: -7.713 Base-Backbone interact. energy: 1.167 local terms energy: -32.626618 where: bonds (distance) C4'-P energy: -10.587 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: 2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -60.723741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.723741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.723741 (E_RNA) where: Base-Base interactions energy: -25.496 where: short stacking energy: -23.797 Base-Backbone interact. energy: -0.016 local terms energy: -35.211436 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -9.676 flat angles P-C4'-P energy: -0.948 tors. eta vs tors. theta energy: -8.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -50.077211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.077211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.077211 (E_RNA) where: Base-Base interactions energy: -15.742 where: short stacking energy: -15.742 Base-Backbone interact. energy: -0.129 local terms energy: -34.206341 where: bonds (distance) C4'-P energy: -6.070 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -0.252 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: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -111.986062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.986062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.986062 (E_RNA) where: Base-Base interactions energy: -71.662 where: short stacking energy: -31.349 Base-Backbone interact. energy: -0.077 local terms energy: -40.247223 where: bonds (distance) C4'-P energy: -9.941 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -6.675 tors. eta vs tors. theta energy: -6.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -112.437112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.437112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.437112 (E_RNA) where: Base-Base interactions energy: -74.224 where: short stacking energy: -30.068 Base-Backbone interact. energy: -0.001 local terms energy: -38.211866 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -9.251 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -109.986613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.986613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.986613 (E_RNA) where: Base-Base interactions energy: -69.859 where: short stacking energy: -33.542 Base-Backbone interact. energy: -0.512 local terms energy: -39.615743 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -9.654 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -9.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -105.350622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.350622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.350622 (E_RNA) where: Base-Base interactions energy: -73.343 where: short stacking energy: -30.689 Base-Backbone interact. energy: -0.006 local terms energy: -32.001163 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -9.288 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -103.916771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.916771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.916771 (E_RNA) where: Base-Base interactions energy: -64.892 where: short stacking energy: -27.636 Base-Backbone interact. energy: 0.187 local terms energy: -39.212388 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -8.897 flat angles P-C4'-P energy: -6.906 tors. eta vs tors. theta energy: -7.166 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: 10 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -63.280610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.280610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.280610 (E_RNA) where: Base-Base interactions energy: -33.961 where: short stacking energy: -23.489 Base-Backbone interact. energy: -0.080 local terms energy: -29.239454 where: bonds (distance) C4'-P energy: -6.675 bonds (distance) P-C4' energy: -9.291 flat angles C4'-P-C4' energy: -8.204 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -72.236634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.236634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.236634 (E_RNA) where: Base-Base interactions energy: -38.061 where: short stacking energy: -22.895 Base-Backbone interact. energy: -0.146 local terms energy: -34.029845 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.556 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -59.969788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.969788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.969788 (E_RNA) where: Base-Base interactions energy: -27.278 where: short stacking energy: -27.278 Base-Backbone interact. energy: 1.192 local terms energy: -33.883383 where: bonds (distance) C4'-P energy: -9.324 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -53.554809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.554809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.554809 (E_RNA) where: Base-Base interactions energy: -17.055 where: short stacking energy: -17.055 Base-Backbone interact. energy: -0.172 local terms energy: -36.328087 where: bonds (distance) C4'-P energy: -9.342 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -9.476 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -1.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -47.190449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.190449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.190449 (E_RNA) where: Base-Base interactions energy: -19.606 where: short stacking energy: -19.606 Base-Backbone interact. energy: -0.693 local terms energy: -26.890784 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -4.504 flat angles C4'-P-C4' energy: -9.079 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -123.165094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.165094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.165094 (E_RNA) where: Base-Base interactions energy: -77.829 where: short stacking energy: -34.410 Base-Backbone interact. energy: -0.001 local terms energy: -45.334779 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -10.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -109.207895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.207895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.207895 (E_RNA) where: Base-Base interactions energy: -70.854 where: short stacking energy: -29.395 Base-Backbone interact. energy: -0.037 local terms energy: -38.316729 where: bonds (distance) C4'-P energy: -8.330 bonds (distance) P-C4' energy: -11.342 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -5.536 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -113.168361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.168361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.168361 (E_RNA) where: Base-Base interactions energy: -71.379 where: short stacking energy: -34.117 Base-Backbone interact. energy: -0.748 local terms energy: -41.040827 where: bonds (distance) C4'-P energy: -4.526 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -10.105 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -111.179118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.179118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.179118 (E_RNA) where: Base-Base interactions energy: -72.988 where: short stacking energy: -28.455 Base-Backbone interact. energy: -0.003 local terms energy: -38.188744 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -9.985 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -105.063902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.063902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.063902 (E_RNA) where: Base-Base interactions energy: -65.238 where: short stacking energy: -24.850 Base-Backbone interact. energy: -0.045 local terms energy: -39.780730 where: bonds (distance) C4'-P energy: -8.496 bonds (distance) P-C4' energy: -9.475 flat angles C4'-P-C4' energy: -9.291 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -7.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -60.354325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.354325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.354325 (E_RNA) where: Base-Base interactions energy: -24.835 where: short stacking energy: -24.835 Base-Backbone interact. energy: -0.000 local terms energy: -35.519470 where: bonds (distance) C4'-P energy: -7.279 bonds (distance) P-C4' energy: -9.447 flat angles C4'-P-C4' energy: -9.386 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -55.831968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.831968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.831968 (E_RNA) where: Base-Base interactions energy: -25.336 where: short stacking energy: -21.811 Base-Backbone interact. energy: -0.143 local terms energy: -30.353676 where: bonds (distance) C4'-P energy: -6.716 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -3.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -47.443152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.443152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.443152 (E_RNA) where: Base-Base interactions energy: -15.509 where: short stacking energy: -13.280 Base-Backbone interact. energy: 0.138 local terms energy: -32.072579 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -48.907818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.907818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.907818 (E_RNA) where: Base-Base interactions energy: -17.019 where: short stacking energy: -17.019 Base-Backbone interact. energy: -0.693 local terms energy: -31.196333 where: bonds (distance) C4'-P energy: -7.929 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -0.359 tors. eta vs tors. theta energy: -3.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -47.830964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.830964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.830964 (E_RNA) where: Base-Base interactions energy: -17.003 where: short stacking energy: -17.003 Base-Backbone interact. energy: -0.026 local terms energy: -30.801670 where: bonds (distance) C4'-P energy: -8.119 bonds (distance) P-C4' energy: -9.706 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -113.954986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.954986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.954986 (E_RNA) where: Base-Base interactions energy: -70.293 where: short stacking energy: -32.934 Base-Backbone interact. energy: -2.550 local terms energy: -41.111945 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -8.603 flat angles C4'-P-C4' energy: -9.414 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -6.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -111.367569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.367569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.367569 (E_RNA) where: Base-Base interactions energy: -69.731 where: short stacking energy: -27.875 Base-Backbone interact. energy: -0.061 local terms energy: -41.575430 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -10.447 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -120.111929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.111929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.111929 (E_RNA) where: Base-Base interactions energy: -82.684 where: short stacking energy: -37.193 Base-Backbone interact. energy: -0.012 local terms energy: -37.415844 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -10.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -107.261846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.261846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.261846 (E_RNA) where: Base-Base interactions energy: -71.566 where: short stacking energy: -30.482 Base-Backbone interact. energy: -0.020 local terms energy: -35.675773 where: bonds (distance) C4'-P energy: -7.875 bonds (distance) P-C4' energy: -8.131 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -7.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -104.871406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.871406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.871406 (E_RNA) where: Base-Base interactions energy: -63.544 where: short stacking energy: -24.748 Base-Backbone interact. energy: -0.111 local terms energy: -41.216910 where: bonds (distance) C4'-P energy: -8.976 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -7.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -65.974797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.974797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.974797 (E_RNA) where: Base-Base interactions energy: -25.503 where: short stacking energy: -25.503 Base-Backbone interact. energy: -0.096 local terms energy: -40.376005 where: bonds (distance) C4'-P energy: -7.515 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -10.107 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -9.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -71.128225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.128225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.128225 (E_RNA) where: Base-Base interactions energy: -31.449 where: short stacking energy: -31.449 Base-Backbone interact. energy: -0.001 local terms energy: -39.677592 where: bonds (distance) C4'-P energy: -7.888 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -6.746 tors. eta vs tors. theta energy: -9.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -59.913359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.913359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.913359 (E_RNA) where: Base-Base interactions energy: -28.114 where: short stacking energy: -20.629 Base-Backbone interact. energy: -0.004 local terms energy: -31.796196 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -7.319 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -5.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -61.727188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.727188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.727188 (E_RNA) where: Base-Base interactions energy: -35.756 where: short stacking energy: -14.717 Base-Backbone interact. energy: 0.644 local terms energy: -26.614600 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -1.685 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -46.746617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.746617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.746617 (E_RNA) where: Base-Base interactions energy: -20.833 where: short stacking energy: -20.833 Base-Backbone interact. energy: 2.042 local terms energy: -27.956227 where: bonds (distance) C4'-P energy: -2.862 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -115.531074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.531074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.531074 (E_RNA) where: Base-Base interactions energy: -77.952 where: short stacking energy: -29.023 Base-Backbone interact. energy: -0.066 local terms energy: -37.513883 where: bonds (distance) C4'-P energy: -7.917 bonds (distance) P-C4' energy: -10.296 flat angles C4'-P-C4' energy: -8.821 flat angles P-C4'-P energy: -0.424 tors. eta vs tors. theta energy: -10.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -118.837264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.837264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.837264 (E_RNA) where: Base-Base interactions energy: -77.090 where: short stacking energy: -33.472 Base-Backbone interact. energy: -0.442 local terms energy: -41.304989 where: bonds (distance) C4'-P energy: -6.538 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -9.288 flat angles P-C4'-P energy: -6.980 tors. eta vs tors. theta energy: -8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -112.976272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.976272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.976272 (E_RNA) where: Base-Base interactions energy: -69.279 where: short stacking energy: -26.093 Base-Backbone interact. energy: -0.468 local terms energy: -43.228921 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -9.126 flat angles C4'-P-C4' energy: -8.732 flat angles P-C4'-P energy: -6.194 tors. eta vs tors. theta energy: -9.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -108.768694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.768694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.768694 (E_RNA) where: Base-Base interactions energy: -69.040 where: short stacking energy: -30.611 Base-Backbone interact. energy: -0.060 local terms energy: -39.668514 where: bonds (distance) C4'-P energy: -9.883 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -9.532 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -7.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -106.496524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.496524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.496524 (E_RNA) where: Base-Base interactions energy: -65.038 where: short stacking energy: -27.449 Base-Backbone interact. energy: -0.025 local terms energy: -41.433321 where: bonds (distance) C4'-P energy: -10.748 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -9.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -69.051459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.051459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.051459 (E_RNA) where: Base-Base interactions energy: -31.217 where: short stacking energy: -27.347 Base-Backbone interact. energy: -0.000 local terms energy: -37.834256 where: bonds (distance) C4'-P energy: -8.046 bonds (distance) P-C4' energy: -9.732 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -52.732909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.732909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.732909 (E_RNA) where: Base-Base interactions energy: -17.223 where: short stacking energy: -12.635 Base-Backbone interact. energy: -0.016 local terms energy: -35.494166 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -9.601 flat angles C4'-P-C4' energy: -10.231 flat angles P-C4'-P energy: -7.651 tors. eta vs tors. theta energy: -2.752 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: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -53.906244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.906244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.906244 (E_RNA) where: Base-Base interactions energy: -14.948 where: short stacking energy: -14.948 Base-Backbone interact. energy: -0.076 local terms energy: -38.881523 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -51.797684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.797684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.797684 (E_RNA) where: Base-Base interactions energy: -21.098 where: short stacking energy: -18.188 Base-Backbone interact. energy: 0.426 local terms energy: -31.125353 where: bonds (distance) C4'-P energy: -6.299 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -10.231 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: 1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -59.465897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.465897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.465897 (E_RNA) where: Base-Base interactions energy: -27.901 where: short stacking energy: -27.901 Base-Backbone interact. energy: -0.003 local terms energy: -31.561880 where: bonds (distance) C4'-P energy: -8.364 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -120.783799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.783799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.783799 (E_RNA) where: Base-Base interactions energy: -86.836 where: short stacking energy: -37.125 Base-Backbone interact. energy: -0.022 local terms energy: -33.924913 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -5.832 flat angles C4'-P-C4' energy: -9.174 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -7.404 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: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -118.805016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.805016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.805016 (E_RNA) where: Base-Base interactions energy: -80.379 where: short stacking energy: -34.919 Base-Backbone interact. energy: -0.002 local terms energy: -38.423517 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -5.033 flat angles C4'-P-C4' energy: -8.767 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -9.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -113.095469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.095469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.095469 (E_RNA) where: Base-Base interactions energy: -72.269 where: short stacking energy: -32.111 Base-Backbone interact. energy: -0.076 local terms energy: -40.750422 where: bonds (distance) C4'-P energy: -6.713 bonds (distance) P-C4' energy: -9.660 flat angles C4'-P-C4' energy: -9.691 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -110.206612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.206612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.206612 (E_RNA) where: Base-Base interactions energy: -73.470 where: short stacking energy: -32.099 Base-Backbone interact. energy: -0.057 local terms energy: -36.679561 where: bonds (distance) C4'-P energy: -8.993 bonds (distance) P-C4' energy: -6.424 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -8.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -110.914288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.914288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.914288 (E_RNA) where: Base-Base interactions energy: -69.049 where: short stacking energy: -33.433 Base-Backbone interact. energy: -0.080 local terms energy: -41.785316 where: bonds (distance) C4'-P energy: -10.579 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -67.133502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.133502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.133502 (E_RNA) where: Base-Base interactions energy: -31.251 where: short stacking energy: -28.068 Base-Backbone interact. energy: -0.086 local terms energy: -35.796589 where: bonds (distance) C4'-P energy: -8.426 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -9.777 flat angles P-C4'-P energy: 0.535 tors. eta vs tors. theta energy: -7.745 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: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -55.115708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.115708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.115708 (E_RNA) where: Base-Base interactions energy: -20.770 where: short stacking energy: -14.075 Base-Backbone interact. energy: -0.004 local terms energy: -34.341814 where: bonds (distance) C4'-P energy: -8.013 bonds (distance) P-C4' energy: -9.969 flat angles C4'-P-C4' energy: -9.004 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -48.918686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.918686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.918686 (E_RNA) where: Base-Base interactions energy: -21.522 where: short stacking energy: -21.522 Base-Backbone interact. energy: 1.028 local terms energy: -28.424800 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -55.374490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.374490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.374490 (E_RNA) where: Base-Base interactions energy: -23.874 where: short stacking energy: -23.874 Base-Backbone interact. energy: -0.439 local terms energy: -31.061361 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -6.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -45.366470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.366470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.366470 (E_RNA) where: Base-Base interactions energy: -16.068 where: short stacking energy: -15.803 Base-Backbone interact. energy: -0.053 local terms energy: -29.245719 where: bonds (distance) C4'-P energy: -4.362 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -115.780205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.780205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.780205 (E_RNA) where: Base-Base interactions energy: -79.088 where: short stacking energy: -31.579 Base-Backbone interact. energy: -0.775 local terms energy: -35.917096 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -6.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -117.087008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.087008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.087008 (E_RNA) where: Base-Base interactions energy: -81.951 where: short stacking energy: -33.776 Base-Backbone interact. energy: -0.005 local terms energy: -35.130423 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -10.687 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -7.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -115.252892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.252892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.252892 (E_RNA) where: Base-Base interactions energy: -77.272 where: short stacking energy: -27.586 Base-Backbone interact. energy: -0.018 local terms energy: -37.962406 where: bonds (distance) C4'-P energy: -10.198 bonds (distance) P-C4' energy: -9.048 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -7.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -106.586464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.586464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.586464 (E_RNA) where: Base-Base interactions energy: -67.744 where: short stacking energy: -30.441 Base-Backbone interact. energy: -0.008 local terms energy: -38.835196 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -7.901 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -8.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -114.739687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.739687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.739687 (E_RNA) where: Base-Base interactions energy: -78.365 where: short stacking energy: -35.189 Base-Backbone interact. energy: -0.001 local terms energy: -36.373895 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -9.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -57.574660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.574660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.574660 (E_RNA) where: Base-Base interactions energy: -22.953 where: short stacking energy: -22.953 Base-Backbone interact. energy: -0.146 local terms energy: -34.476069 where: bonds (distance) C4'-P energy: -8.377 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -10.113 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -65.681910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.681910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.681910 (E_RNA) where: Base-Base interactions energy: -36.495 where: short stacking energy: -15.685 Base-Backbone interact. energy: -0.038 local terms energy: -29.148526 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -7.063 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -51.978712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.978712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.978712 (E_RNA) where: Base-Base interactions energy: -17.554 where: short stacking energy: -14.292 Base-Backbone interact. energy: -0.051 local terms energy: -34.373488 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -56.663261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.663261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.663261 (E_RNA) where: Base-Base interactions energy: -21.259 where: short stacking energy: -19.533 Base-Backbone interact. energy: -0.004 local terms energy: -35.399716 where: bonds (distance) C4'-P energy: -6.530 bonds (distance) P-C4' energy: -9.049 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -4.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -45.619415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.619415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.619415 (E_RNA) where: Base-Base interactions energy: -18.534 where: short stacking energy: -18.534 Base-Backbone interact. energy: -0.004 local terms energy: -27.080530 where: bonds (distance) C4'-P energy: -9.304 bonds (distance) P-C4' energy: -7.250 flat angles C4'-P-C4' energy: -2.415 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -4.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -118.261991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.261991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.261991 (E_RNA) where: Base-Base interactions energy: -75.623 where: short stacking energy: -29.589 Base-Backbone interact. energy: -0.009 local terms energy: -42.630359 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -9.333 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -6.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -112.734238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.734238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.734238 (E_RNA) where: Base-Base interactions energy: -80.099 where: short stacking energy: -27.049 Base-Backbone interact. energy: -0.005 local terms energy: -32.629981 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -8.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -118.627213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.627213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.627213 (E_RNA) where: Base-Base interactions energy: -78.184 where: short stacking energy: -33.843 Base-Backbone interact. energy: -0.009 local terms energy: -40.434938 where: bonds (distance) C4'-P energy: -7.665 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -8.469 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -105.734487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.734487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.734487 (E_RNA) where: Base-Base interactions energy: -66.290 where: short stacking energy: -28.146 Base-Backbone interact. energy: -0.660 local terms energy: -38.784273 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -8.982 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -107.861572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.861572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.861572 (E_RNA) where: Base-Base interactions energy: -70.122 where: short stacking energy: -27.133 Base-Backbone interact. energy: -0.100 local terms energy: -37.639862 where: bonds (distance) C4'-P energy: -6.757 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -8.649 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -9.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -68.183568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.183568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.183568 (E_RNA) where: Base-Base interactions energy: -40.357 where: short stacking energy: -13.650 Base-Backbone interact. energy: -0.298 local terms energy: -27.528188 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -48.679924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.679924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.679924 (E_RNA) where: Base-Base interactions energy: -20.710 where: short stacking energy: -15.233 Base-Backbone interact. energy: -0.098 local terms energy: -27.871915 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -9.048 flat angles C4'-P-C4' energy: -9.715 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -0.084 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: 8, replica: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -51.616858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.616858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.616858 (E_RNA) where: Base-Base interactions energy: -23.637 where: short stacking energy: -17.260 Base-Backbone interact. energy: -0.019 local terms energy: -27.960413 where: bonds (distance) C4'-P energy: -0.967 bonds (distance) P-C4' energy: -5.697 flat angles C4'-P-C4' energy: -10.131 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -6.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -45.292069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.292069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.292069 (E_RNA) where: Base-Base interactions energy: -16.711 where: short stacking energy: -8.646 Base-Backbone interact. energy: -0.160 local terms energy: -28.420799 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -9.882 flat angles C4'-P-C4' energy: -3.581 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: 0.763 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: 2 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -52.052933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.052933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.052933 (E_RNA) where: Base-Base interactions energy: -19.095 where: short stacking energy: -13.792 Base-Backbone interact. energy: -1.305 local terms energy: -31.653571 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -120.630944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.630944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.630944 (E_RNA) where: Base-Base interactions energy: -79.719 where: short stacking energy: -31.883 Base-Backbone interact. energy: -0.000 local terms energy: -40.911627 where: bonds (distance) C4'-P energy: -8.463 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -9.629 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -9.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -114.674482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.674482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.674482 (E_RNA) where: Base-Base interactions energy: -74.628 where: short stacking energy: -33.499 Base-Backbone interact. energy: -0.467 local terms energy: -39.579793 where: bonds (distance) C4'-P energy: -7.747 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -6.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -115.328180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.328180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.328180 (E_RNA) where: Base-Base interactions energy: -74.332 where: short stacking energy: -32.620 Base-Backbone interact. energy: -0.251 local terms energy: -40.744838 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -9.154 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -6.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -106.601913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.601913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.601913 (E_RNA) where: Base-Base interactions energy: -65.178 where: short stacking energy: -30.662 Base-Backbone interact. energy: -0.989 local terms energy: -40.435187 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -8.434 flat angles P-C4'-P energy: -6.277 tors. eta vs tors. theta energy: -8.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -105.155423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.155423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.155423 (E_RNA) where: Base-Base interactions energy: -73.955 where: short stacking energy: -27.168 Base-Backbone interact. energy: -0.006 local terms energy: -31.193752 where: bonds (distance) C4'-P energy: -8.669 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -54.426355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.426355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.426355 (E_RNA) where: Base-Base interactions energy: -25.571 where: short stacking energy: -24.609 Base-Backbone interact. energy: 0.201 local terms energy: -29.056766 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -8.988 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -5.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -60.017587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.017587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.017587 (E_RNA) where: Base-Base interactions energy: -20.994 where: short stacking energy: -17.287 Base-Backbone interact. energy: -0.005 local terms energy: -39.018390 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -49.638017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.638017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.638017 (E_RNA) where: Base-Base interactions energy: -22.041 where: short stacking energy: -22.041 Base-Backbone interact. energy: -0.153 local terms energy: -27.444215 where: bonds (distance) C4'-P energy: -6.241 bonds (distance) P-C4' energy: -5.795 flat angles C4'-P-C4' energy: -9.814 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -49.983979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.983979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.983979 (E_RNA) where: Base-Base interactions energy: -19.299 where: short stacking energy: -16.325 Base-Backbone interact. energy: -0.109 local terms energy: -30.576185 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -4.485 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -48.071477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.071477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.071477 (E_RNA) where: Base-Base interactions energy: -17.495 where: short stacking energy: -12.712 Base-Backbone interact. energy: -0.003 local terms energy: -30.573820 where: bonds (distance) C4'-P energy: -10.355 bonds (distance) P-C4' energy: -7.718 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -118.713490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.713490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.713490 (E_RNA) where: Base-Base interactions energy: -78.535 where: short stacking energy: -32.497 Base-Backbone interact. energy: -0.000 local terms energy: -40.178306 where: bonds (distance) C4'-P energy: -9.458 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -8.037 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: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -117.585369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.585369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.585369 (E_RNA) where: Base-Base interactions energy: -77.880 where: short stacking energy: -34.260 Base-Backbone interact. energy: -0.074 local terms energy: -39.631886 where: bonds (distance) C4'-P energy: -8.384 bonds (distance) P-C4' energy: -9.510 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -113.388037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.388037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.388037 (E_RNA) where: Base-Base interactions energy: -80.218 where: short stacking energy: -36.253 Base-Backbone interact. energy: -0.000 local terms energy: -33.169676 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -6.036 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -2.517 tors. eta vs tors. theta energy: -7.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -111.980086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.980086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.980086 (E_RNA) where: Base-Base interactions energy: -67.504 where: short stacking energy: -29.678 Base-Backbone interact. energy: -0.647 local terms energy: -43.829095 where: bonds (distance) C4'-P energy: -8.737 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: -7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -108.407305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.407305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.407305 (E_RNA) where: Base-Base interactions energy: -68.642 where: short stacking energy: -29.858 Base-Backbone interact. energy: -0.040 local terms energy: -39.724906 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -9.834 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -8.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -52.822214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.822214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.822214 (E_RNA) where: Base-Base interactions energy: -19.985 where: short stacking energy: -19.985 Base-Backbone interact. energy: -0.358 local terms energy: -32.479000 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -9.539 flat angles C4'-P-C4' energy: -9.067 flat angles P-C4'-P energy: -2.090 tors. eta vs tors. theta energy: -2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -55.976888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.976888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.976888 (E_RNA) where: Base-Base interactions energy: -26.095 where: short stacking energy: -26.095 Base-Backbone interact. energy: -0.000 local terms energy: -29.882161 where: bonds (distance) C4'-P energy: -2.643 bonds (distance) P-C4' energy: -9.742 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -5.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -54.436702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.436702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.436702 (E_RNA) where: Base-Base interactions energy: -24.236 where: short stacking energy: -22.812 Base-Backbone interact. energy: -0.073 local terms energy: -30.127642 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -54.698186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.698186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.698186 (E_RNA) where: Base-Base interactions energy: -28.505 where: short stacking energy: -22.483 Base-Backbone interact. energy: 3.865 local terms energy: -30.058162 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -7.233 flat angles C4'-P-C4' energy: -8.599 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -48.325552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.325552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.325552 (E_RNA) where: Base-Base interactions energy: -17.704 where: short stacking energy: -13.769 Base-Backbone interact. energy: -1.063 local terms energy: -29.558099 where: bonds (distance) C4'-P energy: -7.813 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: 2.147 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: 1, replica: 6 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -124.447243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.447243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.447243 (E_RNA) where: Base-Base interactions energy: -86.150 where: short stacking energy: -32.560 Base-Backbone interact. energy: -0.933 local terms energy: -37.364659 where: bonds (distance) C4'-P energy: -5.623 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -5.789 tors. eta vs tors. theta energy: -10.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -118.459409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.459409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.459409 (E_RNA) where: Base-Base interactions energy: -73.652 where: short stacking energy: -32.238 Base-Backbone interact. energy: -0.631 local terms energy: -44.176232 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -11.241 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -8.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -107.897097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.897097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.897097 (E_RNA) where: Base-Base interactions energy: -69.792 where: short stacking energy: -29.407 Base-Backbone interact. energy: -0.784 local terms energy: -37.321386 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -8.763 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -110.516705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.516705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.516705 (E_RNA) where: Base-Base interactions energy: -67.902 where: short stacking energy: -32.769 Base-Backbone interact. energy: -0.034 local terms energy: -42.580691 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -8.311 flat angles P-C4'-P energy: -7.524 tors. eta vs tors. theta energy: -6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -110.671978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.671978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.671978 (E_RNA) where: Base-Base interactions energy: -67.767 where: short stacking energy: -33.584 Base-Backbone interact. energy: -0.007 local terms energy: -42.897832 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -10.172 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -9.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -62.649378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.649378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.649378 (E_RNA) where: Base-Base interactions energy: -26.657 where: short stacking energy: -23.655 Base-Backbone interact. energy: -0.024 local terms energy: -35.968247 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -5.795 flat angles C4'-P-C4' energy: -9.748 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -55.915306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.915306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.915306 (E_RNA) where: Base-Base interactions energy: -27.310 where: short stacking energy: -25.969 Base-Backbone interact. energy: -0.058 local terms energy: -28.546578 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -0.231 tors. eta vs tors. theta energy: -6.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -48.318443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.318443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.318443 (E_RNA) where: Base-Base interactions energy: -15.526 where: short stacking energy: -14.258 Base-Backbone interact. energy: -0.265 local terms energy: -32.527009 where: bonds (distance) C4'-P energy: -5.338 bonds (distance) P-C4' energy: -9.729 flat angles C4'-P-C4' energy: -10.162 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -49.145867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.145867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.145867 (E_RNA) where: Base-Base interactions energy: -22.166 where: short stacking energy: -22.166 Base-Backbone interact. energy: -0.080 local terms energy: -26.899707 where: bonds (distance) C4'-P energy: -4.546 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -6.877 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -55.554719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.554719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.554719 (E_RNA) where: Base-Base interactions energy: -27.324 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.042 local terms energy: -28.188330 where: bonds (distance) C4'-P energy: -8.066 bonds (distance) P-C4' energy: -8.719 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -118.597806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.597806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.597806 (E_RNA) where: Base-Base interactions energy: -77.884 where: short stacking energy: -30.326 Base-Backbone interact. energy: -0.001 local terms energy: -40.712434 where: bonds (distance) C4'-P energy: -7.532 bonds (distance) P-C4' energy: -8.960 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -11.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -114.305072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.305072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.305072 (E_RNA) where: Base-Base interactions energy: -77.650 where: short stacking energy: -33.172 Base-Backbone interact. energy: -0.001 local terms energy: -36.654010 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -6.236 tors. eta vs tors. theta energy: -5.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -112.364434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.364434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.364434 (E_RNA) where: Base-Base interactions energy: -75.141 where: short stacking energy: -34.686 Base-Backbone interact. energy: -0.040 local terms energy: -37.183686 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -8.082 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -9.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -107.138842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.138842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.138842 (E_RNA) where: Base-Base interactions energy: -70.990 where: short stacking energy: -27.423 Base-Backbone interact. energy: -0.034 local terms energy: -36.114485 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -5.927 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: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -104.346141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.346141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.346141 (E_RNA) where: Base-Base interactions energy: -72.424 where: short stacking energy: -23.810 Base-Backbone interact. energy: -0.011 local terms energy: -31.911238 where: bonds (distance) C4'-P energy: -8.711 bonds (distance) P-C4' energy: -9.879 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -61.199619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.199619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.199619 (E_RNA) where: Base-Base interactions energy: -30.435 where: short stacking energy: -18.920 Base-Backbone interact. energy: -0.100 local terms energy: -30.664143 where: bonds (distance) C4'-P energy: -5.975 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -57.119453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.119453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.119453 (E_RNA) where: Base-Base interactions energy: -23.006 where: short stacking energy: -23.006 Base-Backbone interact. energy: -0.000 local terms energy: -34.113786 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.920 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -66.260834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.260834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.260834 (E_RNA) where: Base-Base interactions energy: -38.906 where: short stacking energy: -18.046 Base-Backbone interact. energy: -0.183 local terms energy: -27.172038 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -9.552 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: 0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -50.455228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.455228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.455228 (E_RNA) where: Base-Base interactions energy: -18.890 where: short stacking energy: -18.890 Base-Backbone interact. energy: -0.003 local terms energy: -31.561822 where: bonds (distance) C4'-P energy: -8.153 bonds (distance) P-C4' energy: -5.517 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -47.474952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.474952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.474952 (E_RNA) where: Base-Base interactions energy: -14.330 where: short stacking energy: -14.330 Base-Backbone interact. energy: -0.045 local terms energy: -33.099749 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.992 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: 0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -118.810992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.810992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.810992 (E_RNA) where: Base-Base interactions energy: -74.465 where: short stacking energy: -32.035 Base-Backbone interact. energy: -0.801 local terms energy: -43.544865 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -10.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -112.048393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.048393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.048393 (E_RNA) where: Base-Base interactions energy: -69.714 where: short stacking energy: -28.354 Base-Backbone interact. energy: -0.040 local terms energy: -42.294942 where: bonds (distance) C4'-P energy: -9.518 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -8.812 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: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -114.913777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.913777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.913777 (E_RNA) where: Base-Base interactions energy: -82.322 where: short stacking energy: -29.828 Base-Backbone interact. energy: -0.360 local terms energy: -32.231845 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -6.421 flat angles C4'-P-C4' energy: -8.755 flat angles P-C4'-P energy: -1.205 tors. eta vs tors. theta energy: -8.929 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: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -111.226946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.226946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.226946 (E_RNA) where: Base-Base interactions energy: -74.401 where: short stacking energy: -28.718 Base-Backbone interact. energy: -0.004 local terms energy: -36.822345 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -7.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -108.617937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.617937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.617937 (E_RNA) where: Base-Base interactions energy: -67.002 where: short stacking energy: -25.722 Base-Backbone interact. energy: -0.065 local terms energy: -41.550543 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -8.598 flat angles C4'-P-C4' energy: -10.037 flat angles P-C4'-P energy: -6.524 tors. eta vs tors. theta energy: -6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -66.994438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.994438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.994438 (E_RNA) where: Base-Base interactions energy: -39.088 where: short stacking energy: -19.568 Base-Backbone interact. energy: -0.066 local terms energy: -27.840620 where: bonds (distance) C4'-P energy: -8.323 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -3.864 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -61.840242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.840242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.840242 (E_RNA) where: Base-Base interactions energy: -24.721 where: short stacking energy: -24.575 Base-Backbone interact. energy: -0.014 local terms energy: -37.105219 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -8.727 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -6.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -49.292296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.292296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.292296 (E_RNA) where: Base-Base interactions energy: -14.188 where: short stacking energy: -14.188 Base-Backbone interact. energy: -0.011 local terms energy: -35.092439 where: bonds (distance) C4'-P energy: -9.804 bonds (distance) P-C4' energy: -8.190 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -59.007627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.007627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.007627 (E_RNA) where: Base-Base interactions energy: -23.452 where: short stacking energy: -14.602 Base-Backbone interact. energy: -0.035 local terms energy: -35.520609 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -6.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -49.434020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.434020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.434020 (E_RNA) where: Base-Base interactions energy: -17.460 where: short stacking energy: -15.518 Base-Backbone interact. energy: -0.270 local terms energy: -31.703541 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: 2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -118.547172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.547172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.547172 (E_RNA) where: Base-Base interactions energy: -76.757 where: short stacking energy: -30.813 Base-Backbone interact. energy: -0.005 local terms energy: -41.785670 where: bonds (distance) C4'-P energy: -10.678 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -116.268220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.268220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.268220 (E_RNA) where: Base-Base interactions energy: -77.981 where: short stacking energy: -29.159 Base-Backbone interact. energy: -0.001 local terms energy: -38.286342 where: bonds (distance) C4'-P energy: -9.279 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -1.850 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -109.251574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.251574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.251574 (E_RNA) where: Base-Base interactions energy: -68.253 where: short stacking energy: -32.545 Base-Backbone interact. energy: -0.001 local terms energy: -40.997915 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -8.238 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -9.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -109.828419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.828419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.828419 (E_RNA) where: Base-Base interactions energy: -72.692 where: short stacking energy: -33.045 Base-Backbone interact. energy: -0.093 local terms energy: -37.043237 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -9.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -107.445240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.445240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.445240 (E_RNA) where: Base-Base interactions energy: -69.648 where: short stacking energy: -33.602 Base-Backbone interact. energy: -0.068 local terms energy: -37.728610 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -8.503 flat angles C4'-P-C4' energy: -9.750 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -8.090 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: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -54.607107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.607107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.607107 (E_RNA) where: Base-Base interactions energy: -24.741 where: short stacking energy: -24.741 Base-Backbone interact. energy: -0.517 local terms energy: -29.349852 where: bonds (distance) C4'-P energy: -6.066 bonds (distance) P-C4' energy: -9.048 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -1.599 tors. eta vs tors. theta energy: -4.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -54.341650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.341650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.341650 (E_RNA) where: Base-Base interactions energy: -20.917 where: short stacking energy: -18.235 Base-Backbone interact. energy: -0.427 local terms energy: -32.997206 where: bonds (distance) C4'-P energy: -5.610 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -9.477 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -5.063 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: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -49.582602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.582602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.582602 (E_RNA) where: Base-Base interactions energy: -22.185 where: short stacking energy: -21.770 Base-Backbone interact. energy: -0.212 local terms energy: -27.186271 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -1.011 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -61.397252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.397252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.397252 (E_RNA) where: Base-Base interactions energy: -25.984 where: short stacking energy: -23.308 Base-Backbone interact. energy: 0.365 local terms energy: -35.778266 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -46.892172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.892172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.892172 (E_RNA) where: Base-Base interactions energy: -13.767 where: short stacking energy: -9.512 Base-Backbone interact. energy: -0.126 local terms energy: -32.999735 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -117.821101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.821101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.821101 (E_RNA) where: Base-Base interactions energy: -71.108 where: short stacking energy: -32.449 Base-Backbone interact. energy: -0.799 local terms energy: -45.914549 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -10.408 flat angles C4'-P-C4' energy: -9.205 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -9.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -106.087509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.087509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.087509 (E_RNA) where: Base-Base interactions energy: -67.442 where: short stacking energy: -25.948 Base-Backbone interact. energy: -0.246 local terms energy: -38.398896 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -9.061 flat angles C4'-P-C4' energy: -9.817 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -113.205952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.205952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.205952 (E_RNA) where: Base-Base interactions energy: -70.870 where: short stacking energy: -31.949 Base-Backbone interact. energy: -0.041 local terms energy: -42.294893 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -9.378 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -7.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -114.334998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.334998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.334998 (E_RNA) where: Base-Base interactions energy: -70.874 where: short stacking energy: -33.962 Base-Backbone interact. energy: -0.001 local terms energy: -43.459850 where: bonds (distance) C4'-P energy: -8.186 bonds (distance) P-C4' energy: -9.672 flat angles C4'-P-C4' energy: -10.738 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -8.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -108.824940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.824940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.824940 (E_RNA) where: Base-Base interactions energy: -77.655 where: short stacking energy: -25.469 Base-Backbone interact. energy: -0.108 local terms energy: -31.062156 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -8.058 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -1.432 tors. eta vs tors. theta energy: -7.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -66.479964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.479964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.479964 (E_RNA) where: Base-Base interactions energy: -33.087 where: short stacking energy: -25.109 Base-Backbone interact. energy: -1.927 local terms energy: -31.465203 where: bonds (distance) C4'-P energy: -8.468 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -1.647 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -51.931049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.931049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.931049 (E_RNA) where: Base-Base interactions energy: -23.539 where: short stacking energy: -16.693 Base-Backbone interact. energy: -0.253 local terms energy: -28.138377 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -55.503354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.503354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.503354 (E_RNA) where: Base-Base interactions energy: -23.754 where: short stacking energy: -23.754 Base-Backbone interact. energy: -0.066 local terms energy: -31.683374 where: bonds (distance) C4'-P energy: -4.435 bonds (distance) P-C4' energy: -10.913 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -51.219660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.219660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.219660 (E_RNA) where: Base-Base interactions energy: -18.752 where: short stacking energy: -18.752 Base-Backbone interact. energy: -0.014 local terms energy: -32.454003 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -5.447 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: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -50.852353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.852353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.852353 (E_RNA) where: Base-Base interactions energy: -16.103 where: short stacking energy: -12.811 Base-Backbone interact. energy: -0.028 local terms energy: -34.721443 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -9.672 flat angles C4'-P-C4' energy: -9.524 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: 1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -115.976573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.976573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.976573 (E_RNA) where: Base-Base interactions energy: -78.008 where: short stacking energy: -33.602 Base-Backbone interact. energy: -0.001 local terms energy: -37.968092 where: bonds (distance) C4'-P energy: -8.531 bonds (distance) P-C4' energy: -9.790 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -0.259 tors. eta vs tors. theta energy: -10.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -119.924740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.924740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.924740 (E_RNA) where: Base-Base interactions energy: -84.360 where: short stacking energy: -32.254 Base-Backbone interact. energy: 0.793 local terms energy: -36.357592 where: bonds (distance) C4'-P energy: -7.888 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -5.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -110.664368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.664368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.664368 (E_RNA) where: Base-Base interactions energy: -67.891 where: short stacking energy: -31.566 Base-Backbone interact. energy: 0.184 local terms energy: -42.957052 where: bonds (distance) C4'-P energy: -9.105 bonds (distance) P-C4' energy: -9.165 flat angles C4'-P-C4' energy: -10.229 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -6.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -112.487073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.487073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.487073 (E_RNA) where: Base-Base interactions energy: -79.408 where: short stacking energy: -32.718 Base-Backbone interact. energy: -0.039 local terms energy: -33.039681 where: bonds (distance) C4'-P energy: -8.545 bonds (distance) P-C4' energy: -9.890 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -110.201258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.201258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.201258 (E_RNA) where: Base-Base interactions energy: -66.816 where: short stacking energy: -27.772 Base-Backbone interact. energy: -1.126 local terms energy: -42.259100 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -8.846 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -7.068 tors. eta vs tors. theta energy: -8.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -60.597057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.597057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.597057 (E_RNA) where: Base-Base interactions energy: -28.028 where: short stacking energy: -28.028 Base-Backbone interact. energy: -0.002 local terms energy: -32.566866 where: bonds (distance) C4'-P energy: -3.156 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -51.982740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.982740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.982740 (E_RNA) where: Base-Base interactions energy: -16.346 where: short stacking energy: -16.346 Base-Backbone interact. energy: -0.099 local terms energy: -35.537551 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -2.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -58.276314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.276314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.276314 (E_RNA) where: Base-Base interactions energy: -30.661 where: short stacking energy: -19.441 Base-Backbone interact. energy: 0.288 local terms energy: -27.902894 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -8.914 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -49.222543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.222543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.222543 (E_RNA) where: Base-Base interactions energy: -15.271 where: short stacking energy: -15.271 Base-Backbone interact. energy: -0.101 local terms energy: -33.851253 where: bonds (distance) C4'-P energy: -9.058 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -9.127 flat angles P-C4'-P energy: -2.064 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -54.900687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.900687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.900687 (E_RNA) where: Base-Base interactions energy: -22.972 where: short stacking energy: -15.539 Base-Backbone interact. energy: -0.164 local terms energy: -31.764593 where: bonds (distance) C4'-P energy: -7.557 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -113.618289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.618289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.618289 (E_RNA) where: Base-Base interactions energy: -69.752 where: short stacking energy: -31.276 Base-Backbone interact. energy: -0.504 local terms energy: -43.362498 where: bonds (distance) C4'-P energy: -8.463 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -10.061 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -7.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -115.060736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.060736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.060736 (E_RNA) where: Base-Base interactions energy: -77.444 where: short stacking energy: -30.648 Base-Backbone interact. energy: 0.177 local terms energy: -37.793998 where: bonds (distance) C4'-P energy: -8.075 bonds (distance) P-C4' energy: -9.904 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -7.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -108.011338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.011338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.011338 (E_RNA) where: Base-Base interactions energy: -69.971 where: short stacking energy: -35.091 Base-Backbone interact. energy: -0.169 local terms energy: -37.871528 where: bonds (distance) C4'-P energy: -9.341 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: -5.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -102.824430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.824430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.824430 (E_RNA) where: Base-Base interactions energy: -66.247 where: short stacking energy: -30.130 Base-Backbone interact. energy: 0.365 local terms energy: -36.942410 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -9.969 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -108.446487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.446487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.446487 (E_RNA) where: Base-Base interactions energy: -66.777 where: short stacking energy: -23.535 Base-Backbone interact. energy: -1.169 local terms energy: -40.500176 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -8.967 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -8.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -53.295071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.295071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.295071 (E_RNA) where: Base-Base interactions energy: -18.405 where: short stacking energy: -17.030 Base-Backbone interact. energy: -0.031 local terms energy: -34.858484 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -9.517 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -69.010038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.010038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.010038 (E_RNA) where: Base-Base interactions energy: -31.060 where: short stacking energy: -23.734 Base-Backbone interact. energy: -0.006 local terms energy: -37.944009 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -8.929 flat angles C4'-P-C4' energy: -9.526 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -6.761 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: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -57.074146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.074146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.074146 (E_RNA) where: Base-Base interactions energy: -25.890 where: short stacking energy: -11.894 Base-Backbone interact. energy: -0.040 local terms energy: -31.144871 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -9.284 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: 1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -49.978665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.978665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.978665 (E_RNA) where: Base-Base interactions energy: -17.933 where: short stacking energy: -12.413 Base-Backbone interact. energy: -0.139 local terms energy: -31.906453 where: bonds (distance) C4'-P energy: -8.276 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -41.976788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.976788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.976788 (E_RNA) where: Base-Base interactions energy: -11.482 where: short stacking energy: -9.403 Base-Backbone interact. energy: 0.075 local terms energy: -30.569560 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -9.221 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: 0.791 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: 91 Temperature: 0.900000 Total energy: -119.651975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.651975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.651975 (E_RNA) where: Base-Base interactions energy: -78.515 where: short stacking energy: -32.958 Base-Backbone interact. energy: -0.001 local terms energy: -41.136005 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -9.517 flat angles C4'-P-C4' energy: -8.721 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -9.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -117.598678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.598678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.598678 (E_RNA) where: Base-Base interactions energy: -74.710 where: short stacking energy: -32.962 Base-Backbone interact. energy: -0.001 local terms energy: -42.887529 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -10.056 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -8.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -120.049323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.049323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.049323 (E_RNA) where: Base-Base interactions energy: -72.913 where: short stacking energy: -35.119 Base-Backbone interact. energy: -0.002 local terms energy: -47.134108 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -10.067 flat angles C4'-P-C4' energy: -9.183 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -11.657 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: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -110.630779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.630779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.630779 (E_RNA) where: Base-Base interactions energy: -75.101 where: short stacking energy: -29.435 Base-Backbone interact. energy: -0.047 local terms energy: -35.482512 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -9.175 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -105.815139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.815139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.815139 (E_RNA) where: Base-Base interactions energy: -65.194 where: short stacking energy: -31.724 Base-Backbone interact. energy: 1.996 local terms energy: -42.617519 where: bonds (distance) C4'-P energy: -7.896 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -9.655 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -10.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -65.274625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.274625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.274625 (E_RNA) where: Base-Base interactions energy: -30.645 where: short stacking energy: -22.890 Base-Backbone interact. energy: -0.027 local terms energy: -34.602458 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -10.074 flat angles C4'-P-C4' energy: -8.767 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -62.296240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.296240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.296240 (E_RNA) where: Base-Base interactions energy: -27.033 where: short stacking energy: -17.065 Base-Backbone interact. energy: -0.316 local terms energy: -34.947907 where: bonds (distance) C4'-P energy: -7.904 bonds (distance) P-C4' energy: -8.634 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -48.617947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.617947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.617947 (E_RNA) where: Base-Base interactions energy: -26.986 where: short stacking energy: -20.568 Base-Backbone interact. energy: 0.387 local terms energy: -22.019039 where: bonds (distance) C4'-P energy: -7.569 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: 0.361 tors. eta vs tors. theta energy: 2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -61.382999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.382999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.382999 (E_RNA) where: Base-Base interactions energy: -23.957 where: short stacking energy: -22.379 Base-Backbone interact. energy: -0.261 local terms energy: -37.164874 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -8.755 flat angles C4'-P-C4' energy: -9.040 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -6.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -45.615351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.615351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.615351 (E_RNA) where: Base-Base interactions energy: -15.195 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.911 local terms energy: -29.509767 where: bonds (distance) C4'-P energy: -6.894 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -112.635457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.635457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.635457 (E_RNA) where: Base-Base interactions energy: -77.786 where: short stacking energy: -30.366 Base-Backbone interact. energy: -0.117 local terms energy: -34.732242 where: bonds (distance) C4'-P energy: -9.796 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -6.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -119.964497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.964497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.964497 (E_RNA) where: Base-Base interactions energy: -78.563 where: short stacking energy: -37.386 Base-Backbone interact. energy: -0.003 local terms energy: -41.398310 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -9.443 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -8.989 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: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -109.730159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.730159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.730159 (E_RNA) where: Base-Base interactions energy: -68.136 where: short stacking energy: -24.874 Base-Backbone interact. energy: 0.812 local terms energy: -42.406759 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -7.696 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: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -110.143460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.143460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.143460 (E_RNA) where: Base-Base interactions energy: -70.458 where: short stacking energy: -31.356 Base-Backbone interact. energy: -0.042 local terms energy: -39.643816 where: bonds (distance) C4'-P energy: -5.347 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -10.030 flat angles P-C4'-P energy: -4.543 tors. eta vs tors. theta energy: -9.273 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: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -110.077227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.077227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.077227 (E_RNA) where: Base-Base interactions energy: -64.778 where: short stacking energy: -30.392 Base-Backbone interact. energy: -0.871 local terms energy: -44.428912 where: bonds (distance) C4'-P energy: -9.714 bonds (distance) P-C4' energy: -10.293 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: -7.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -58.929213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.929213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.929213 (E_RNA) where: Base-Base interactions energy: -24.017 where: short stacking energy: -22.119 Base-Backbone interact. energy: -0.001 local terms energy: -34.911648 where: bonds (distance) C4'-P energy: -9.033 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -0.059 tors. eta vs tors. theta energy: -9.411 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: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -57.845112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.845112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.845112 (E_RNA) where: Base-Base interactions energy: -25.844 where: short stacking energy: -20.146 Base-Backbone interact. energy: -0.255 local terms energy: -31.745989 where: bonds (distance) C4'-P energy: -7.140 bonds (distance) P-C4' energy: -9.659 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: 0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -52.066510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.066510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.066510 (E_RNA) where: Base-Base interactions energy: -21.489 where: short stacking energy: -21.489 Base-Backbone interact. energy: -0.043 local terms energy: -30.534332 where: bonds (distance) C4'-P energy: -9.088 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: 1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -52.972235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.972235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.972235 (E_RNA) where: Base-Base interactions energy: -26.545 where: short stacking energy: -21.436 Base-Backbone interact. energy: -0.090 local terms energy: -26.337030 where: bonds (distance) C4'-P energy: -4.398 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -48.835581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.835581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.835581 (E_RNA) where: Base-Base interactions energy: -23.166 where: short stacking energy: -18.435 Base-Backbone interact. energy: -0.050 local terms energy: -25.619946 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -9.629 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: 0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -114.225276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.225276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.225276 (E_RNA) where: Base-Base interactions energy: -72.913 where: short stacking energy: -32.716 Base-Backbone interact. energy: -0.118 local terms energy: -41.194002 where: bonds (distance) C4'-P energy: -9.598 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -6.438 tors. eta vs tors. theta energy: -9.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -124.997400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.997400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.997400 (E_RNA) where: Base-Base interactions energy: -83.865 where: short stacking energy: -38.169 Base-Backbone interact. energy: -0.000 local terms energy: -41.132069 where: bonds (distance) C4'-P energy: -7.483 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -9.605 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -9.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -111.637568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.637568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.637568 (E_RNA) where: Base-Base interactions energy: -70.764 where: short stacking energy: -31.483 Base-Backbone interact. energy: -0.000 local terms energy: -40.873503 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -8.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -114.740239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.740239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.740239 (E_RNA) where: Base-Base interactions energy: -72.051 where: short stacking energy: -30.972 Base-Backbone interact. energy: -0.001 local terms energy: -42.688052 where: bonds (distance) C4'-P energy: -8.492 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -8.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -108.320169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.320169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.320169 (E_RNA) where: Base-Base interactions energy: -70.002 where: short stacking energy: -30.514 Base-Backbone interact. energy: -0.108 local terms energy: -38.210044 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -6.763 flat angles C4'-P-C4' energy: -10.899 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -7.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -65.723697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.723697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.723697 (E_RNA) where: Base-Base interactions energy: -30.500 where: short stacking energy: -30.500 Base-Backbone interact. energy: -0.000 local terms energy: -35.223762 where: bonds (distance) C4'-P energy: -8.562 bonds (distance) P-C4' energy: -6.633 flat angles C4'-P-C4' energy: -8.715 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -6.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -55.007747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.007747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.007747 (E_RNA) where: Base-Base interactions energy: -22.547 where: short stacking energy: -20.744 Base-Backbone interact. energy: -0.032 local terms energy: -32.428853 where: bonds (distance) C4'-P energy: -9.110 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -54.565120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.565120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.565120 (E_RNA) where: Base-Base interactions energy: -27.127 where: short stacking energy: -7.150 Base-Backbone interact. energy: -0.227 local terms energy: -27.211419 where: bonds (distance) C4'-P energy: -9.151 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: 1.073 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: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -53.084344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.084344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.084344 (E_RNA) where: Base-Base interactions energy: -19.585 where: short stacking energy: -19.585 Base-Backbone interact. energy: -0.093 local terms energy: -33.406002 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -9.906 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -58.892830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.892830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.892830 (E_RNA) where: Base-Base interactions energy: -32.048 where: short stacking energy: -23.971 Base-Backbone interact. energy: -0.031 local terms energy: -26.813705 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -7.504 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.128 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: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -118.488704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.488704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.488704 (E_RNA) where: Base-Base interactions energy: -76.660 where: short stacking energy: -30.224 Base-Backbone interact. energy: -0.354 local terms energy: -41.474543 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -9.832 flat angles P-C4'-P energy: -6.171 tors. eta vs tors. theta energy: -8.140 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: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -111.125815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.125815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.125815 (E_RNA) where: Base-Base interactions energy: -70.373 where: short stacking energy: -30.774 Base-Backbone interact. energy: -0.923 local terms energy: -39.829692 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -10.327 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -116.655120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.655120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.655120 (E_RNA) where: Base-Base interactions energy: -75.270 where: short stacking energy: -31.515 Base-Backbone interact. energy: -0.274 local terms energy: -41.111173 where: bonds (distance) C4'-P energy: -7.975 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -10.223 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -6.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -117.324581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.324581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.324581 (E_RNA) where: Base-Base interactions energy: -77.068 where: short stacking energy: -33.896 Base-Backbone interact. energy: -0.000 local terms energy: -40.256635 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -9.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -106.183717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.183717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.183717 (E_RNA) where: Base-Base interactions energy: -70.262 where: short stacking energy: -31.129 Base-Backbone interact. energy: -0.074 local terms energy: -35.847607 where: bonds (distance) C4'-P energy: -5.731 bonds (distance) P-C4' energy: -9.365 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -9.187 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: 94 Temperature: 1.150000 Total energy: -62.937349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.937349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.937349 (E_RNA) where: Base-Base interactions energy: -28.392 where: short stacking energy: -26.711 Base-Backbone interact. energy: 0.986 local terms energy: -35.530616 where: bonds (distance) C4'-P energy: -7.462 bonds (distance) P-C4' energy: -6.179 flat angles C4'-P-C4' energy: -9.469 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -7.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -65.304923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.304923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.304923 (E_RNA) where: Base-Base interactions energy: -30.314 where: short stacking energy: -27.502 Base-Backbone interact. energy: -0.071 local terms energy: -34.920242 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -4.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -48.973209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.973209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.973209 (E_RNA) where: Base-Base interactions energy: -17.339 where: short stacking energy: -17.339 Base-Backbone interact. energy: -0.007 local terms energy: -31.627547 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -9.737 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: 0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -52.450903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.450903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.450903 (E_RNA) where: Base-Base interactions energy: -16.280 where: short stacking energy: -16.280 Base-Backbone interact. energy: -0.015 local terms energy: -36.155585 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -10.398 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -5.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -51.770169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.770169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.770169 (E_RNA) where: Base-Base interactions energy: -20.199 where: short stacking energy: -20.199 Base-Backbone interact. energy: -0.005 local terms energy: -31.565518 where: bonds (distance) C4'-P energy: -6.671 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -5.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -114.002582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.002582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.002582 (E_RNA) where: Base-Base interactions energy: -78.823 where: short stacking energy: -30.825 Base-Backbone interact. energy: -0.347 local terms energy: -34.833199 where: bonds (distance) C4'-P energy: -7.316 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -6.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -115.467956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.467956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.467956 (E_RNA) where: Base-Base interactions energy: -80.280 where: short stacking energy: -27.949 Base-Backbone interact. energy: -0.208 local terms energy: -34.980368 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -9.724 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -107.963700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.963700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.963700 (E_RNA) where: Base-Base interactions energy: -70.449 where: short stacking energy: -29.543 Base-Backbone interact. energy: -0.635 local terms energy: -36.879647 where: bonds (distance) C4'-P energy: -8.120 bonds (distance) P-C4' energy: -9.248 flat angles C4'-P-C4' energy: -9.086 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -106.994755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.994755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.994755 (E_RNA) where: Base-Base interactions energy: -66.304 where: short stacking energy: -30.864 Base-Backbone interact. energy: -2.347 local terms energy: -38.344091 where: bonds (distance) C4'-P energy: -10.425 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.384 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -6.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -108.775217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.775217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.775217 (E_RNA) where: Base-Base interactions energy: -72.758 where: short stacking energy: -33.115 Base-Backbone interact. energy: -0.015 local terms energy: -36.002363 where: bonds (distance) C4'-P energy: -6.505 bonds (distance) P-C4' energy: -9.728 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -7.806 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: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -60.983930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.983930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.983930 (E_RNA) where: Base-Base interactions energy: -34.220 where: short stacking energy: -14.034 Base-Backbone interact. energy: -0.097 local terms energy: -26.666541 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -2.261 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: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -70.977062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.977062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.977062 (E_RNA) where: Base-Base interactions energy: -30.787 where: short stacking energy: -23.860 Base-Backbone interact. energy: -0.000 local terms energy: -40.190112 where: bonds (distance) C4'-P energy: -5.254 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -9.213 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -6.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -55.130991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.130991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.130991 (E_RNA) where: Base-Base interactions energy: -18.250 where: short stacking energy: -18.250 Base-Backbone interact. energy: -0.021 local terms energy: -36.859652 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -9.384 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -3.325 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: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -57.164298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.164298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.164298 (E_RNA) where: Base-Base interactions energy: -26.036 where: short stacking energy: -23.419 Base-Backbone interact. energy: -0.102 local terms energy: -31.026661 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -53.012379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.012379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.012379 (E_RNA) where: Base-Base interactions energy: -19.635 where: short stacking energy: -19.635 Base-Backbone interact. energy: 1.528 local terms energy: -34.905225 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -7.447 flat angles C4'-P-C4' energy: -10.143 flat angles P-C4'-P energy: -2.848 tors. eta vs tors. theta energy: -5.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -121.646338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.646338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.646338 (E_RNA) where: Base-Base interactions energy: -76.773 where: short stacking energy: -33.661 Base-Backbone interact. energy: -0.001 local terms energy: -44.873142 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -9.215 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -9.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -115.317170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.317170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.317170 (E_RNA) where: Base-Base interactions energy: -77.184 where: short stacking energy: -28.823 Base-Backbone interact. energy: -0.004 local terms energy: -38.129595 where: bonds (distance) C4'-P energy: -8.108 bonds (distance) P-C4' energy: -8.493 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -7.491 tors. eta vs tors. theta energy: -6.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -107.977206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.977206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.977206 (E_RNA) where: Base-Base interactions energy: -70.754 where: short stacking energy: -29.158 Base-Backbone interact. energy: -0.398 local terms energy: -36.824837 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -7.863 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -117.198340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.198340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.198340 (E_RNA) where: Base-Base interactions energy: -78.781 where: short stacking energy: -32.744 Base-Backbone interact. energy: -0.000 local terms energy: -38.417295 where: bonds (distance) C4'-P energy: -8.393 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -8.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -110.784137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.784137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.784137 (E_RNA) where: Base-Base interactions energy: -71.067 where: short stacking energy: -33.315 Base-Backbone interact. energy: -1.283 local terms energy: -38.434225 where: bonds (distance) C4'-P energy: -8.315 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -9.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -93.943908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.943908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.943908 (E_RNA) where: Base-Base interactions energy: -66.774 where: short stacking energy: -24.605 Base-Backbone interact. energy: -0.047 local terms energy: -27.122776 where: bonds (distance) C4'-P energy: -9.126 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -0.796 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -57.413506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.413506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.413506 (E_RNA) where: Base-Base interactions energy: -28.496 where: short stacking energy: -19.568 Base-Backbone interact. energy: -0.050 local terms energy: -28.866910 where: bonds (distance) C4'-P energy: -7.515 bonds (distance) P-C4' energy: -9.601 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -1.169 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -50.779773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.779773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.779773 (E_RNA) where: Base-Base interactions energy: -22.284 where: short stacking energy: -22.284 Base-Backbone interact. energy: -0.006 local terms energy: -28.489516 where: bonds (distance) C4'-P energy: -6.513 bonds (distance) P-C4' energy: -8.309 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -1.331 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: 96 Temperature: 1.300000 Total energy: -53.364871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.364871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.364871 (E_RNA) where: Base-Base interactions energy: -19.467 where: short stacking energy: -19.467 Base-Backbone interact. energy: -0.117 local terms energy: -33.780765 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -8.958 flat angles P-C4'-P energy: -0.923 tors. eta vs tors. theta energy: -8.191 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: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -47.973621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.973621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.973621 (E_RNA) where: Base-Base interactions energy: -15.531 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.071 local terms energy: -32.371511 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -9.426 flat angles C4'-P-C4' energy: -9.422 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -116.954709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.954709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.954709 (E_RNA) where: Base-Base interactions energy: -75.985 where: short stacking energy: -31.313 Base-Backbone interact. energy: -0.123 local terms energy: -40.847046 where: bonds (distance) C4'-P energy: -7.507 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -9.405 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -8.984 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: 2, replica: 3 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -114.431380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.431380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.431380 (E_RNA) where: Base-Base interactions energy: -72.336 where: short stacking energy: -34.647 Base-Backbone interact. energy: -0.004 local terms energy: -42.091240 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -9.404 flat angles C4'-P-C4' energy: -10.722 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -8.374 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: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -111.000423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.000423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.000423 (E_RNA) where: Base-Base interactions energy: -77.671 where: short stacking energy: -29.924 Base-Backbone interact. energy: -0.081 local terms energy: -33.248320 where: bonds (distance) C4'-P energy: -6.394 bonds (distance) P-C4' energy: -8.334 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -6.679 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -102.193716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.193716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.193716 (E_RNA) where: Base-Base interactions energy: -64.999 where: short stacking energy: -25.562 Base-Backbone interact. energy: -0.055 local terms energy: -37.139892 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -107.940836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.940836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.940836 (E_RNA) where: Base-Base interactions energy: -66.262 where: short stacking energy: -30.631 Base-Backbone interact. energy: -0.000 local terms energy: -41.678481 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -11.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -55.661364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.661364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.661364 (E_RNA) where: Base-Base interactions energy: -22.604 where: short stacking energy: -16.455 Base-Backbone interact. energy: -0.225 local terms energy: -32.832136 where: bonds (distance) C4'-P energy: -8.915 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -8.963 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -58.183889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.183889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.183889 (E_RNA) where: Base-Base interactions energy: -24.392 where: short stacking energy: -24.392 Base-Backbone interact. energy: -0.002 local terms energy: -33.789655 where: bonds (distance) C4'-P energy: -7.950 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -9.757 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -44.140750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.140750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.140750 (E_RNA) where: Base-Base interactions energy: -17.480 where: short stacking energy: -14.295 Base-Backbone interact. energy: -0.034 local terms energy: -26.627512 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -6.508 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: 0.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -59.338153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.338153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.338153 (E_RNA) where: Base-Base interactions energy: -30.526 where: short stacking energy: -16.809 Base-Backbone interact. energy: -0.011 local terms energy: -28.801474 where: bonds (distance) C4'-P energy: -8.252 bonds (distance) P-C4' energy: -10.320 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -49.945976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.945976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.945976 (E_RNA) where: Base-Base interactions energy: -18.474 where: short stacking energy: -17.184 Base-Backbone interact. energy: -0.003 local terms energy: -31.468819 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: 0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -118.362176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.362176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.362176 (E_RNA) where: Base-Base interactions energy: -74.366 where: short stacking energy: -29.162 Base-Backbone interact. energy: -0.016 local terms energy: -43.980202 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -10.736 flat angles P-C4'-P energy: -6.495 tors. eta vs tors. theta energy: -8.230 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: 98 Temperature: 0.950000 Total energy: -112.630807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.630807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.630807 (E_RNA) where: Base-Base interactions energy: -70.358 where: short stacking energy: -27.601 Base-Backbone interact. energy: -0.280 local terms energy: -41.993219 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -9.749 flat angles P-C4'-P energy: -5.927 tors. eta vs tors. theta energy: -6.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -110.042750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.042750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.042750 (E_RNA) where: Base-Base interactions energy: -70.383 where: short stacking energy: -31.184 Base-Backbone interact. energy: -0.000 local terms energy: -39.660196 where: bonds (distance) C4'-P energy: -7.841 bonds (distance) P-C4' energy: -10.105 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -7.653 tors. eta vs tors. theta energy: -7.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -111.447768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.447768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.447768 (E_RNA) where: Base-Base interactions energy: -72.661 where: short stacking energy: -34.655 Base-Backbone interact. energy: -0.056 local terms energy: -38.730020 where: bonds (distance) C4'-P energy: -8.562 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -6.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -112.877474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.877474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.877474 (E_RNA) where: Base-Base interactions energy: -78.741 where: short stacking energy: -27.057 Base-Backbone interact. energy: -0.523 local terms energy: -33.613420 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -7.261 flat angles C4'-P-C4' energy: -8.055 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -8.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -54.582245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.582245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.582245 (E_RNA) where: Base-Base interactions energy: -19.686 where: short stacking energy: -19.686 Base-Backbone interact. energy: -0.056 local terms energy: -34.840318 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -9.026 flat angles C4'-P-C4' energy: -9.976 flat angles P-C4'-P energy: -7.823 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: 7, replica: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -62.397312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.397312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.397312 (E_RNA) where: Base-Base interactions energy: -25.685 where: short stacking energy: -19.918 Base-Backbone interact. energy: -0.069 local terms energy: -36.643235 where: bonds (distance) C4'-P energy: -9.291 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -46.220370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.220370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.220370 (E_RNA) where: Base-Base interactions energy: -15.858 where: short stacking energy: -15.858 Base-Backbone interact. energy: 0.259 local terms energy: -30.621581 where: bonds (distance) C4'-P energy: -8.328 bonds (distance) P-C4' energy: -7.875 flat angles C4'-P-C4' energy: -10.462 flat angles P-C4'-P energy: -6.945 tors. eta vs tors. theta energy: 2.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -53.084442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.084442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.084442 (E_RNA) where: Base-Base interactions energy: -27.093 where: short stacking energy: -14.881 Base-Backbone interact. energy: 2.149 local terms energy: -28.140066 where: bonds (distance) C4'-P energy: -6.767 bonds (distance) P-C4' energy: -7.464 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -6.372 tors. eta vs tors. theta energy: -0.913 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: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -58.629255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.629255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.629255 (E_RNA) where: Base-Base interactions energy: -29.579 where: short stacking energy: -29.143 Base-Backbone interact. energy: -0.164 local terms energy: -28.885577 where: bonds (distance) C4'-P energy: -3.275 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -5.708 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: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -120.888554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.888554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.888554 (E_RNA) where: Base-Base interactions energy: -78.452 where: short stacking energy: -34.929 Base-Backbone interact. energy: -0.003 local terms energy: -42.433851 where: bonds (distance) C4'-P energy: -9.547 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -9.242 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -10.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -114.226054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.226054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.226054 (E_RNA) where: Base-Base interactions energy: -75.174 where: short stacking energy: -32.499 Base-Backbone interact. energy: -0.000 local terms energy: -39.051874 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -9.778 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -108.761881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.761881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.761881 (E_RNA) where: Base-Base interactions energy: -70.389 where: short stacking energy: -28.326 Base-Backbone interact. energy: -0.004 local terms energy: -38.368641 where: bonds (distance) C4'-P energy: -8.580 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -5.924 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: 6 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -109.099017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.099017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.099017 (E_RNA) where: Base-Base interactions energy: -75.440 where: short stacking energy: -31.869 Base-Backbone interact. energy: 0.810 local terms energy: -34.468346 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -9.842 flat angles P-C4'-P energy: 0.549 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -105.547975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.547975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.547975 (E_RNA) where: Base-Base interactions energy: -65.360 where: short stacking energy: -29.748 Base-Backbone interact. energy: -0.081 local terms energy: -40.107047 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -11.075 flat angles C4'-P-C4' energy: -10.817 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -6.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -69.619710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.619710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.619710 (E_RNA) where: Base-Base interactions energy: -35.283 where: short stacking energy: -24.259 Base-Backbone interact. energy: -0.056 local terms energy: -34.280946 where: bonds (distance) C4'-P energy: -5.900 bonds (distance) P-C4' energy: -9.904 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -6.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -57.034202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.034202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.034202 (E_RNA) where: Base-Base interactions energy: -23.211 where: short stacking energy: -23.211 Base-Backbone interact. energy: -0.101 local terms energy: -33.721486 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -7.932 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -54.978318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.978318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.978318 (E_RNA) where: Base-Base interactions energy: -19.218 where: short stacking energy: -17.716 Base-Backbone interact. energy: -0.708 local terms energy: -35.052436 where: bonds (distance) C4'-P energy: -9.428 bonds (distance) P-C4' energy: -10.352 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -2.213 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: 99 Temperature: 1.300000 Total energy: -54.066682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.066682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.066682 (E_RNA) where: Base-Base interactions energy: -20.186 where: short stacking energy: -20.186 Base-Backbone interact. energy: -0.001 local terms energy: -33.879375 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -8.490 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -53.580069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.580069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.580069 (E_RNA) where: Base-Base interactions energy: -20.863 where: short stacking energy: -16.611 Base-Backbone interact. energy: -0.009 local terms energy: -32.708285 where: bonds (distance) C4'-P energy: -6.261 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -119.089822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.089822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.089822 (E_RNA) where: Base-Base interactions energy: -75.168 where: short stacking energy: -34.322 Base-Backbone interact. energy: -0.000 local terms energy: -43.921300 where: bonds (distance) C4'-P energy: -9.659 bonds (distance) P-C4' energy: -11.092 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -10.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -117.669132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.669132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.669132 (E_RNA) where: Base-Base interactions energy: -72.188 where: short stacking energy: -35.165 Base-Backbone interact. energy: -0.643 local terms energy: -44.838709 where: bonds (distance) C4'-P energy: -6.753 bonds (distance) P-C4' energy: -10.588 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -8.129 tors. eta vs tors. theta energy: -9.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -105.900141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.900141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.900141 (E_RNA) where: Base-Base interactions energy: -65.202 where: short stacking energy: -24.546 Base-Backbone interact. energy: 0.130 local terms energy: -40.828616 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -7.068 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -107.958377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.958377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.958377 (E_RNA) where: Base-Base interactions energy: -69.478 where: short stacking energy: -31.744 Base-Backbone interact. energy: -0.006 local terms energy: -38.474289 where: bonds (distance) C4'-P energy: -7.640 bonds (distance) P-C4' energy: -9.054 flat angles C4'-P-C4' energy: -9.515 flat angles P-C4'-P energy: -8.018 tors. eta vs tors. theta energy: -4.248 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: 100 Temperature: 1.100000 Total energy: -110.537795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.537795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.537795 (E_RNA) where: Base-Base interactions energy: -68.352 where: short stacking energy: -31.232 Base-Backbone interact. energy: -0.587 local terms energy: -41.599160 where: bonds (distance) C4'-P energy: -8.898 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -9.473 flat angles P-C4'-P energy: -6.911 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -67.882697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.882697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.882697 (E_RNA) where: Base-Base interactions energy: -34.599 where: short stacking energy: -24.176 Base-Backbone interact. energy: -0.034 local terms energy: -33.250327 where: bonds (distance) C4'-P energy: -8.393 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -5.276 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: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -56.315019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.315019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.315019 (E_RNA) where: Base-Base interactions energy: -29.299 where: short stacking energy: -20.213 Base-Backbone interact. energy: -0.128 local terms energy: -26.888245 where: bonds (distance) C4'-P energy: -8.678 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -58.177225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.177225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.177225 (E_RNA) where: Base-Base interactions energy: -35.673 where: short stacking energy: -16.670 Base-Backbone interact. energy: -0.204 local terms energy: -22.300075 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -8.558 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: 1.447 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: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -50.914115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.914115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.914115 (E_RNA) where: Base-Base interactions energy: -20.937 where: short stacking energy: -20.934 Base-Backbone interact. energy: -0.013 local terms energy: -29.964797 where: bonds (distance) C4'-P energy: -8.537 bonds (distance) P-C4' energy: -5.106 flat angles C4'-P-C4' energy: -7.734 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -50.933964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.933964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.933964 (E_RNA) where: Base-Base interactions energy: -17.927 where: short stacking energy: -17.927 Base-Backbone interact. energy: -0.001 local terms energy: -33.005664 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -7.124 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -112.698811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.698811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.698811 (E_RNA) where: Base-Base interactions energy: -74.938 where: short stacking energy: -26.476 Base-Backbone interact. energy: -0.000 local terms energy: -37.760816 where: bonds (distance) C4'-P energy: -8.128 bonds (distance) P-C4' energy: -9.150 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -9.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -118.154763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.154763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.154763 (E_RNA) where: Base-Base interactions energy: -80.352 where: short stacking energy: -33.270 Base-Backbone interact. energy: -0.125 local terms energy: -37.677946 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -8.037 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -9.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -109.717627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.717627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.717627 (E_RNA) where: Base-Base interactions energy: -69.433 where: short stacking energy: -28.803 Base-Backbone interact. energy: -0.095 local terms energy: -40.189412 where: bonds (distance) C4'-P energy: -9.341 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -7.129 tors. eta vs tors. theta energy: -5.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -106.466820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.466820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.466820 (E_RNA) where: Base-Base interactions energy: -72.205 where: short stacking energy: -32.730 Base-Backbone interact. energy: -0.430 local terms energy: -33.832387 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -7.562 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -6.952 tors. eta vs tors. theta energy: -6.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -115.262660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.262660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.262660 (E_RNA) where: Base-Base interactions energy: -75.371 where: short stacking energy: -35.462 Base-Backbone interact. energy: -1.077 local terms energy: -38.814659 where: bonds (distance) C4'-P energy: -8.285 bonds (distance) P-C4' energy: -7.067 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: -10.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -72.914814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.914814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.914814 (E_RNA) where: Base-Base interactions energy: -41.662 where: short stacking energy: -15.500 Base-Backbone interact. energy: 0.164 local terms energy: -31.416328 where: bonds (distance) C4'-P energy: -4.910 bonds (distance) P-C4' energy: -9.215 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -57.538517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.538517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.538517 (E_RNA) where: Base-Base interactions energy: -26.586 where: short stacking energy: -26.586 Base-Backbone interact. energy: -0.001 local terms energy: -30.951691 where: bonds (distance) C4'-P energy: -5.905 bonds (distance) P-C4' energy: -8.941 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -59.507917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.507917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.507917 (E_RNA) where: Base-Base interactions energy: -28.276 where: short stacking energy: -17.446 Base-Backbone interact. energy: -0.015 local terms energy: -31.216015 where: bonds (distance) C4'-P energy: -7.437 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -2.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -57.719998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.719998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.719998 (E_RNA) where: Base-Base interactions energy: -32.792 where: short stacking energy: -15.464 Base-Backbone interact. energy: -0.046 local terms energy: -24.882245 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -7.254 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -2.408 tors. eta vs tors. theta energy: -2.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -44.115382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.115382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.115382 (E_RNA) where: Base-Base interactions energy: -17.453 where: short stacking energy: -7.465 Base-Backbone interact. energy: -0.778 local terms energy: -25.884531 where: bonds (distance) C4'-P energy: -6.883 bonds (distance) P-C4' energy: -8.759 flat angles C4'-P-C4' energy: -9.259 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: 2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -116.389977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.389977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.389977 (E_RNA) where: Base-Base interactions energy: -72.752 where: short stacking energy: -32.769 Base-Backbone interact. energy: -0.544 local terms energy: -43.094384 where: bonds (distance) C4'-P energy: -6.597 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -8.397 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -10.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -114.167324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.167324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.167324 (E_RNA) where: Base-Base interactions energy: -79.544 where: short stacking energy: -34.246 Base-Backbone interact. energy: -0.015 local terms energy: -34.608224 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -1.926 tors. eta vs tors. theta energy: -11.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -114.827662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.827662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.827662 (E_RNA) where: Base-Base interactions energy: -68.349 where: short stacking energy: -34.131 Base-Backbone interact. energy: -0.017 local terms energy: -46.462371 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -9.789 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -9.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -109.828428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.828428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.828428 (E_RNA) where: Base-Base interactions energy: -74.570 where: short stacking energy: -34.522 Base-Backbone interact. energy: -0.077 local terms energy: -35.181671 where: bonds (distance) C4'-P energy: -7.835 bonds (distance) P-C4' energy: -6.347 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -8.227 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: 102 Temperature: 1.100000 Total energy: -99.650729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.650729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.650729 (E_RNA) where: Base-Base interactions energy: -60.896 where: short stacking energy: -20.772 Base-Backbone interact. energy: -0.513 local terms energy: -38.241696 where: bonds (distance) C4'-P energy: -9.851 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -6.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -110.002625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.002625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.002625 (E_RNA) where: Base-Base interactions energy: -73.198 where: short stacking energy: -30.132 Base-Backbone interact. energy: -0.427 local terms energy: -36.377538 where: bonds (distance) C4'-P energy: -8.062 bonds (distance) P-C4' energy: -8.263 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -5.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -51.466433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.466433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.466433 (E_RNA) where: Base-Base interactions energy: -24.006 where: short stacking energy: -9.604 Base-Backbone interact. energy: -1.605 local terms energy: -25.855684 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -10.394 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -0.895 tors. eta vs tors. theta energy: 3.541 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: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -49.858150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.858150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.858150 (E_RNA) where: Base-Base interactions energy: -24.438 where: short stacking energy: -22.397 Base-Backbone interact. energy: -0.117 local terms energy: -25.302492 where: bonds (distance) C4'-P energy: -6.087 bonds (distance) P-C4' energy: -7.850 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: 2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -58.087719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.087719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.087719 (E_RNA) where: Base-Base interactions energy: -28.687 where: short stacking energy: -17.164 Base-Backbone interact. energy: -0.101 local terms energy: -29.300138 where: bonds (distance) C4'-P energy: -8.906 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -48.526392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.526392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.526392 (E_RNA) where: Base-Base interactions energy: -16.699 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.006 local terms energy: -31.822176 where: bonds (distance) C4'-P energy: -7.781 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -10.095 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -0.147 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: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -117.188178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.188178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.188178 (E_RNA) where: Base-Base interactions energy: -76.239 where: short stacking energy: -34.019 Base-Backbone interact. energy: -0.002 local terms energy: -40.947425 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -9.517 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -123.529878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.529878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.529878 (E_RNA) where: Base-Base interactions energy: -77.691 where: short stacking energy: -34.300 Base-Backbone interact. energy: -0.027 local terms energy: -45.811521 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -7.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -111.582494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.582494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.582494 (E_RNA) where: Base-Base interactions energy: -76.916 where: short stacking energy: -25.295 Base-Backbone interact. energy: -0.041 local terms energy: -34.626183 where: bonds (distance) C4'-P energy: -7.929 bonds (distance) P-C4' energy: -8.499 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -105.854827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.854827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.854827 (E_RNA) where: Base-Base interactions energy: -69.594 where: short stacking energy: -27.761 Base-Backbone interact. energy: -0.372 local terms energy: -35.888438 where: bonds (distance) C4'-P energy: -7.578 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: 0.539 tors. eta vs tors. theta energy: -9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -112.909459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.909459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.909459 (E_RNA) where: Base-Base interactions energy: -72.741 where: short stacking energy: -33.111 Base-Backbone interact. energy: -0.051 local terms energy: -40.117213 where: bonds (distance) C4'-P energy: -9.850 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -99.480232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.480232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.480232 (E_RNA) where: Base-Base interactions energy: -62.494 where: short stacking energy: -23.357 Base-Backbone interact. energy: -0.008 local terms energy: -36.978341 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -8.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -55.947240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.947240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.947240 (E_RNA) where: Base-Base interactions energy: -17.718 where: short stacking energy: -16.190 Base-Backbone interact. energy: -0.010 local terms energy: -38.218837 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -9.383 flat angles P-C4'-P energy: -7.252 tors. eta vs tors. theta energy: -5.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -52.620439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.620439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.620439 (E_RNA) where: Base-Base interactions energy: -18.000 where: short stacking energy: -18.000 Base-Backbone interact. energy: 0.816 local terms energy: -35.436414 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -2.246 tors. eta vs tors. theta energy: -6.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -49.229696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.229696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.229696 (E_RNA) where: Base-Base interactions energy: -19.470 where: short stacking energy: -15.584 Base-Backbone interact. energy: -0.001 local terms energy: -29.758675 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -7.356 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -1.896 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: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -55.650409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.650409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.650409 (E_RNA) where: Base-Base interactions energy: -26.145 where: short stacking energy: -15.993 Base-Backbone interact. energy: 2.035 local terms energy: -31.540516 where: bonds (distance) C4'-P energy: -7.279 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -116.800629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.800629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.800629 (E_RNA) where: Base-Base interactions energy: -78.024 where: short stacking energy: -37.979 Base-Backbone interact. energy: -0.006 local terms energy: -38.770352 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -10.066 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -7.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -113.354895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.354895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.354895 (E_RNA) where: Base-Base interactions energy: -73.294 where: short stacking energy: -35.362 Base-Backbone interact. energy: 0.007 local terms energy: -40.067482 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -9.811 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -6.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -109.992605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.992605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.992605 (E_RNA) where: Base-Base interactions energy: -71.630 where: short stacking energy: -30.086 Base-Backbone interact. energy: -0.003 local terms energy: -38.359575 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -9.321 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -8.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -108.120377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.120377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.120377 (E_RNA) where: Base-Base interactions energy: -72.762 where: short stacking energy: -33.721 Base-Backbone interact. energy: -0.022 local terms energy: -35.336703 where: bonds (distance) C4'-P energy: -7.400 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -110.759707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.759707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.759707 (E_RNA) where: Base-Base interactions energy: -67.973 where: short stacking energy: -27.174 Base-Backbone interact. energy: -0.149 local terms energy: -42.637371 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -9.899 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -8.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -116.033640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.033640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.033640 (E_RNA) where: Base-Base interactions energy: -79.551 where: short stacking energy: -27.360 Base-Backbone interact. energy: -0.014 local terms energy: -36.468313 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -8.487 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: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -62.338360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.338360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.338360 (E_RNA) where: Base-Base interactions energy: -25.414 where: short stacking energy: -24.755 Base-Backbone interact. energy: -0.006 local terms energy: -36.918492 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -8.135 flat angles C4'-P-C4' energy: -9.845 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -6.181 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: 8, replica: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -53.009702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.009702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.009702 (E_RNA) where: Base-Base interactions energy: -18.055 where: short stacking energy: -18.055 Base-Backbone interact. energy: -0.003 local terms energy: -34.952308 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -9.541 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -6.636 tors. eta vs tors. theta energy: -7.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -48.723297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.723297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.723297 (E_RNA) where: Base-Base interactions energy: -22.831 where: short stacking energy: -14.916 Base-Backbone interact. energy: -0.141 local terms energy: -25.751072 where: bonds (distance) C4'-P energy: -8.418 bonds (distance) P-C4' energy: -7.821 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -2.292 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -51.656740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.656740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.656740 (E_RNA) where: Base-Base interactions energy: -30.077 where: short stacking energy: -16.637 Base-Backbone interact. energy: -0.342 local terms energy: -21.237876 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -10.084 flat angles C4'-P-C4' energy: -2.506 flat angles P-C4'-P energy: -2.600 tors. eta vs tors. theta energy: 0.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -124.024615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.024615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.024615 (E_RNA) where: Base-Base interactions energy: -80.435 where: short stacking energy: -35.553 Base-Backbone interact. energy: -0.007 local terms energy: -43.582596 where: bonds (distance) C4'-P energy: -8.264 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: -12.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -121.247125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.247125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.247125 (E_RNA) where: Base-Base interactions energy: -74.362 where: short stacking energy: -31.952 Base-Backbone interact. energy: -0.001 local terms energy: -46.884629 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -9.274 flat angles C4'-P-C4' energy: -9.382 flat angles P-C4'-P energy: -6.003 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: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -111.781449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.781449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.781449 (E_RNA) where: Base-Base interactions energy: -69.179 where: short stacking energy: -34.918 Base-Backbone interact. energy: -0.059 local terms energy: -42.543271 where: bonds (distance) C4'-P energy: -9.796 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -8.979 flat angles P-C4'-P energy: -6.696 tors. eta vs tors. theta energy: -6.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -109.907438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.907438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.907438 (E_RNA) where: Base-Base interactions energy: -69.043 where: short stacking energy: -27.780 Base-Backbone interact. energy: -0.864 local terms energy: -40.000997 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -5.643 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -109.712452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.712452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.712452 (E_RNA) where: Base-Base interactions energy: -66.956 where: short stacking energy: -30.837 Base-Backbone interact. energy: -0.166 local terms energy: -42.590742 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -9.721 flat angles C4'-P-C4' energy: -9.323 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -6.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -105.079096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.079096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.079096 (E_RNA) where: Base-Base interactions energy: -70.197 where: short stacking energy: -28.142 Base-Backbone interact. energy: 0.653 local terms energy: -35.534974 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -5.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -76.891283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.891283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.891283 (E_RNA) where: Base-Base interactions energy: -48.165 where: short stacking energy: -24.799 Base-Backbone interact. energy: -0.099 local terms energy: -28.626767 where: bonds (distance) C4'-P energy: -4.091 bonds (distance) P-C4' energy: -5.872 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -5.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -50.431911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.431911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.431911 (E_RNA) where: Base-Base interactions energy: -24.702 where: short stacking energy: -17.647 Base-Backbone interact. energy: -0.419 local terms energy: -25.311087 where: bonds (distance) C4'-P energy: -8.902 bonds (distance) P-C4' energy: -6.607 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: 1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -49.464959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.464959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.464959 (E_RNA) where: Base-Base interactions energy: -13.961 where: short stacking energy: -13.961 Base-Backbone interact. energy: 0.425 local terms energy: -35.929025 where: bonds (distance) C4'-P energy: -8.152 bonds (distance) P-C4' energy: -9.978 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -49.608307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.608307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.608307 (E_RNA) where: Base-Base interactions energy: -14.937 where: short stacking energy: -9.505 Base-Backbone interact. energy: -0.057 local terms energy: -34.614244 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -10.388 flat angles C4'-P-C4' energy: -2.506 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -6.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -114.024070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.024070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.024070 (E_RNA) where: Base-Base interactions energy: -76.024 where: short stacking energy: -36.101 Base-Backbone interact. energy: -0.033 local terms energy: -37.967085 where: bonds (distance) C4'-P energy: -8.802 bonds (distance) P-C4' energy: -9.088 flat angles C4'-P-C4' energy: -9.768 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -7.844 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: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -125.375898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.375898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.375898 (E_RNA) where: Base-Base interactions energy: -80.222 where: short stacking energy: -33.637 Base-Backbone interact. energy: -0.526 local terms energy: -44.628305 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -9.564 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -10.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -116.092400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.092400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.092400 (E_RNA) where: Base-Base interactions energy: -72.838 where: short stacking energy: -34.172 Base-Backbone interact. energy: -0.719 local terms energy: -42.535150 where: bonds (distance) C4'-P energy: -9.056 bonds (distance) P-C4' energy: -7.108 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -10.222 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: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -105.466424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.466424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.466424 (E_RNA) where: Base-Base interactions energy: -67.966 where: short stacking energy: -34.635 Base-Backbone interact. energy: 0.081 local terms energy: -37.581163 where: bonds (distance) C4'-P energy: -8.426 bonds (distance) P-C4' energy: -6.613 flat angles C4'-P-C4' energy: -10.412 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -8.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -107.078495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.078495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.078495 (E_RNA) where: Base-Base interactions energy: -65.764 where: short stacking energy: -23.076 Base-Backbone interact. energy: -0.000 local terms energy: -41.314736 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: -7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -101.945196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.945196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.945196 (E_RNA) where: Base-Base interactions energy: -68.587 where: short stacking energy: -27.973 Base-Backbone interact. energy: -0.014 local terms energy: -33.344154 where: bonds (distance) C4'-P energy: -10.082 bonds (distance) P-C4' energy: -8.508 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -69.064689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.064689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.064689 (E_RNA) where: Base-Base interactions energy: -33.568 where: short stacking energy: -20.664 Base-Backbone interact. energy: -0.038 local terms energy: -35.457858 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -9.420 flat angles C4'-P-C4' energy: -9.092 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -53.337366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.337366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.337366 (E_RNA) where: Base-Base interactions energy: -20.665 where: short stacking energy: -12.411 Base-Backbone interact. energy: -0.080 local terms energy: -32.591669 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: 0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -55.483192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.483192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.483192 (E_RNA) where: Base-Base interactions energy: -23.364 where: short stacking energy: -23.364 Base-Backbone interact. energy: -1.846 local terms energy: -30.273842 where: bonds (distance) C4'-P energy: -7.296 bonds (distance) P-C4' energy: -4.580 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -47.194459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.194459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.194459 (E_RNA) where: Base-Base interactions energy: -22.755 where: short stacking energy: -12.309 Base-Backbone interact. energy: -0.065 local terms energy: -24.374078 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -5.312 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -2.296 tors. eta vs tors. theta energy: -0.786 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: 107 Temperature: 0.900000 Total energy: -117.337731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.337731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.337731 (E_RNA) where: Base-Base interactions energy: -74.542 where: short stacking energy: -30.703 Base-Backbone interact. energy: -0.124 local terms energy: -42.671988 where: bonds (distance) C4'-P energy: -7.371 bonds (distance) P-C4' energy: -11.342 flat angles C4'-P-C4' energy: -9.506 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -8.657 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: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -123.341160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.341160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.341160 (E_RNA) where: Base-Base interactions energy: -84.191 where: short stacking energy: -37.753 Base-Backbone interact. energy: -0.354 local terms energy: -38.795878 where: bonds (distance) C4'-P energy: -8.886 bonds (distance) P-C4' energy: -8.525 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -9.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -118.403849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.403849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.403849 (E_RNA) where: Base-Base interactions energy: -76.695 where: short stacking energy: -27.006 Base-Backbone interact. energy: -0.233 local terms energy: -41.475117 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -10.642 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -10.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -109.712104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.712104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.712104 (E_RNA) where: Base-Base interactions energy: -66.365 where: short stacking energy: -27.782 Base-Backbone interact. energy: -0.632 local terms energy: -42.715333 where: bonds (distance) C4'-P energy: -8.413 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -9.048 flat angles P-C4'-P energy: -8.310 tors. eta vs tors. theta energy: -8.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -100.353718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.353718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.353718 (E_RNA) where: Base-Base interactions energy: -63.778 where: short stacking energy: -25.026 Base-Backbone interact. energy: -0.003 local terms energy: -36.572302 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -5.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -99.764139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.764139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.764139 (E_RNA) where: Base-Base interactions energy: -64.043 where: short stacking energy: -29.269 Base-Backbone interact. energy: -0.001 local terms energy: -35.720141 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -5.667 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -9.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -53.498198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.498198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.498198 (E_RNA) where: Base-Base interactions energy: -23.709 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.092 local terms energy: -29.697464 where: bonds (distance) C4'-P energy: -7.462 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: 1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -58.588799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.588799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.588799 (E_RNA) where: Base-Base interactions energy: -34.163 where: short stacking energy: -17.143 Base-Backbone interact. energy: -0.006 local terms energy: -24.420521 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: 0.746 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: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -54.146974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.146974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.146974 (E_RNA) where: Base-Base interactions energy: -29.822 where: short stacking energy: -25.003 Base-Backbone interact. energy: -0.473 local terms energy: -23.851060 where: bonds (distance) C4'-P energy: -7.950 bonds (distance) P-C4' energy: -0.872 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -53.527494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.527494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.527494 (E_RNA) where: Base-Base interactions energy: -21.002 where: short stacking energy: -18.956 Base-Backbone interact. energy: -0.019 local terms energy: -32.506973 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -119.322150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.322150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.322150 (E_RNA) where: Base-Base interactions energy: -77.126 where: short stacking energy: -25.486 Base-Backbone interact. energy: -1.236 local terms energy: -40.959869 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -7.755 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: 2, replica: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -114.436309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.436309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.436309 (E_RNA) where: Base-Base interactions energy: -74.481 where: short stacking energy: -32.603 Base-Backbone interact. energy: -0.056 local terms energy: -39.899124 where: bonds (distance) C4'-P energy: -8.915 bonds (distance) P-C4' energy: -6.781 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -7.315 tors. eta vs tors. theta energy: -8.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -113.943789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.943789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.943789 (E_RNA) where: Base-Base interactions energy: -73.231 where: short stacking energy: -29.912 Base-Backbone interact. energy: -0.014 local terms energy: -40.698035 where: bonds (distance) C4'-P energy: -10.401 bonds (distance) P-C4' energy: -7.685 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -8.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -108.877992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.877992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.877992 (E_RNA) where: Base-Base interactions energy: -72.106 where: short stacking energy: -29.876 Base-Backbone interact. energy: -0.006 local terms energy: -36.765964 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: -7.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -110.926084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.926084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.926084 (E_RNA) where: Base-Base interactions energy: -73.682 where: short stacking energy: -31.803 Base-Backbone interact. energy: -0.001 local terms energy: -37.242769 where: bonds (distance) C4'-P energy: -8.898 bonds (distance) P-C4' energy: -9.300 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -8.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -107.451264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.451264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.451264 (E_RNA) where: Base-Base interactions energy: -64.831 where: short stacking energy: -28.738 Base-Backbone interact. energy: -0.901 local terms energy: -41.719526 where: bonds (distance) C4'-P energy: -7.304 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -10.317 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -10.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -58.624681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.624681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.624681 (E_RNA) where: Base-Base interactions energy: -25.581 where: short stacking energy: -25.581 Base-Backbone interact. energy: -0.104 local terms energy: -32.939916 where: bonds (distance) C4'-P energy: -8.574 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -51.198603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.198603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.198603 (E_RNA) where: Base-Base interactions energy: -23.233 where: short stacking energy: -16.341 Base-Backbone interact. energy: -0.183 local terms energy: -27.782045 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -10.208 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -0.576 tors. eta vs tors. theta energy: -2.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -56.473158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.473158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.473158 (E_RNA) where: Base-Base interactions energy: -21.990 where: short stacking energy: -21.482 Base-Backbone interact. energy: -0.000 local terms energy: -34.482828 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -10.917 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -54.071270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.071270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.071270 (E_RNA) where: Base-Base interactions energy: -16.157 where: short stacking energy: -16.157 Base-Backbone interact. energy: -0.025 local terms energy: -37.889200 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -9.958 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -5.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -118.296527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.296527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.296527 (E_RNA) where: Base-Base interactions energy: -73.328 where: short stacking energy: -33.752 Base-Backbone interact. energy: -0.001 local terms energy: -44.967116 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -9.545 flat angles C4'-P-C4' energy: -9.338 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -10.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -121.264074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.264074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.264074 (E_RNA) where: Base-Base interactions energy: -80.573 where: short stacking energy: -36.221 Base-Backbone interact. energy: -0.000 local terms energy: -40.690976 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -10.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -110.443080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.443080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.443080 (E_RNA) where: Base-Base interactions energy: -68.921 where: short stacking energy: -32.215 Base-Backbone interact. energy: -0.330 local terms energy: -41.192366 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -7.802 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -110.072945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.072945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.072945 (E_RNA) where: Base-Base interactions energy: -72.543 where: short stacking energy: -28.906 Base-Backbone interact. energy: -1.053 local terms energy: -36.477248 where: bonds (distance) C4'-P energy: -7.543 bonds (distance) P-C4' energy: -5.798 flat angles C4'-P-C4' energy: -9.759 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -7.900 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: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -105.956755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.956755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.956755 (E_RNA) where: Base-Base interactions energy: -64.064 where: short stacking energy: -27.207 Base-Backbone interact. energy: -0.176 local terms energy: -41.717276 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -67.938289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.938289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.938289 (E_RNA) where: Base-Base interactions energy: -26.336 where: short stacking energy: -26.141 Base-Backbone interact. energy: -0.001 local terms energy: -41.601300 where: bonds (distance) C4'-P energy: -8.591 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -9.254 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: 109 Temperature: 1.200000 Total energy: -100.912903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.912903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.912903 (E_RNA) where: Base-Base interactions energy: -68.010 where: short stacking energy: -30.817 Base-Backbone interact. energy: -0.010 local terms energy: -32.893695 where: bonds (distance) C4'-P energy: -4.932 bonds (distance) P-C4' energy: -7.558 flat angles C4'-P-C4' energy: -9.271 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: -8.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -64.813232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.813232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.813232 (E_RNA) where: Base-Base interactions energy: -34.192 where: short stacking energy: -18.770 Base-Backbone interact. energy: -0.503 local terms energy: -30.118406 where: bonds (distance) C4'-P energy: -5.504 bonds (distance) P-C4' energy: -9.358 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -56.223186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.223186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.223186 (E_RNA) where: Base-Base interactions energy: -30.329 where: short stacking energy: -8.052 Base-Backbone interact. energy: -0.140 local terms energy: -25.753371 where: bonds (distance) C4'-P energy: -6.378 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -68.569619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.569619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.569619 (E_RNA) where: Base-Base interactions energy: -36.302 where: short stacking energy: -26.474 Base-Backbone interact. energy: -0.041 local terms energy: -32.226238 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -9.749 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -116.536562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.536562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.536562 (E_RNA) where: Base-Base interactions energy: -77.439 where: short stacking energy: -33.711 Base-Backbone interact. energy: -1.278 local terms energy: -37.819446 where: bonds (distance) C4'-P energy: -8.429 bonds (distance) P-C4' energy: -7.555 flat angles C4'-P-C4' energy: -9.318 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -7.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -113.406021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.406021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.406021 (E_RNA) where: Base-Base interactions energy: -77.689 where: short stacking energy: -33.833 Base-Backbone interact. energy: -0.002 local terms energy: -35.714679 where: bonds (distance) C4'-P energy: -8.857 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -112.703165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.703165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.703165 (E_RNA) where: Base-Base interactions energy: -74.177 where: short stacking energy: -31.754 Base-Backbone interact. energy: -0.001 local terms energy: -38.525294 where: bonds (distance) C4'-P energy: -8.030 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -7.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -109.428600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.428600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.428600 (E_RNA) where: Base-Base interactions energy: -71.352 where: short stacking energy: -32.660 Base-Backbone interact. energy: -0.077 local terms energy: -37.999850 where: bonds (distance) C4'-P energy: -8.083 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -6.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -65.299509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.299509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.299509 (E_RNA) where: Base-Base interactions energy: -28.284 where: short stacking energy: -28.284 Base-Backbone interact. energy: -0.046 local terms energy: -36.969423 where: bonds (distance) C4'-P energy: -7.590 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.833 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -5.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -101.639028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.639028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.639028 (E_RNA) where: Base-Base interactions energy: -69.576 where: short stacking energy: -30.059 Base-Backbone interact. energy: -0.485 local terms energy: -31.577433 where: bonds (distance) C4'-P energy: -6.617 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -9.549 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -107.333812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.333812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.333812 (E_RNA) where: Base-Base interactions energy: -69.420 where: short stacking energy: -25.214 Base-Backbone interact. energy: -0.932 local terms energy: -36.981432 where: bonds (distance) C4'-P energy: -8.476 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -7.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -79.343235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.343235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.343235 (E_RNA) where: Base-Base interactions energy: -38.512 where: short stacking energy: -31.560 Base-Backbone interact. energy: -0.020 local terms energy: -40.810778 where: bonds (distance) C4'-P energy: -6.981 bonds (distance) P-C4' energy: -7.043 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -12.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -57.364709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.364709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.364709 (E_RNA) where: Base-Base interactions energy: -18.878 where: short stacking energy: -18.878 Base-Backbone interact. energy: -0.016 local terms energy: -38.470861 where: bonds (distance) C4'-P energy: -8.197 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -10.072 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -69.476233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.476233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.476233 (E_RNA) where: Base-Base interactions energy: -39.117 where: short stacking energy: -19.498 Base-Backbone interact. energy: -0.309 local terms energy: -30.050682 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -112.960335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.960335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.960335 (E_RNA) where: Base-Base interactions energy: -68.943 where: short stacking energy: -29.545 Base-Backbone interact. energy: -0.051 local terms energy: -43.966346 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -9.194 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -9.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -120.597666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.597666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.597666 (E_RNA) where: Base-Base interactions energy: -81.900 where: short stacking energy: -36.783 Base-Backbone interact. energy: -0.054 local terms energy: -38.643015 where: bonds (distance) C4'-P energy: -7.259 bonds (distance) P-C4' energy: -9.178 flat angles C4'-P-C4' energy: -8.767 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -8.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -109.095040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.095040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.095040 (E_RNA) where: Base-Base interactions energy: -66.050 where: short stacking energy: -26.561 Base-Backbone interact. energy: -0.426 local terms energy: -42.619519 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -10.234 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -7.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -82.403189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.403189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.403189 (E_RNA) where: Base-Base interactions energy: -43.598 where: short stacking energy: -17.219 Base-Backbone interact. energy: -0.037 local terms energy: -38.768905 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -10.050 flat angles C4'-P-C4' energy: -8.775 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -105.655764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.655764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.655764 (E_RNA) where: Base-Base interactions energy: -69.446 where: short stacking energy: -30.827 Base-Backbone interact. energy: -0.001 local terms energy: -36.209561 where: bonds (distance) C4'-P energy: -8.410 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -6.041 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: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -100.123062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.123062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.123062 (E_RNA) where: Base-Base interactions energy: -57.203 where: short stacking energy: -24.044 Base-Backbone interact. energy: -0.373 local terms energy: -42.547504 where: bonds (distance) C4'-P energy: -10.400 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -6.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -101.568656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.568656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.568656 (E_RNA) where: Base-Base interactions energy: -65.247 where: short stacking energy: -23.894 Base-Backbone interact. energy: -0.313 local terms energy: -36.008192 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -57.780987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.780987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.780987 (E_RNA) where: Base-Base interactions energy: -23.293 where: short stacking energy: -23.293 Base-Backbone interact. energy: -0.000 local terms energy: -34.488366 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -50.855441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.855441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.855441 (E_RNA) where: Base-Base interactions energy: -22.802 where: short stacking energy: -13.886 Base-Backbone interact. energy: -0.047 local terms energy: -28.005629 where: bonds (distance) C4'-P energy: -9.155 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -2.143 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: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -54.680460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.680460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.680460 (E_RNA) where: Base-Base interactions energy: -19.984 where: short stacking energy: -19.984 Base-Backbone interact. energy: -0.130 local terms energy: -34.565686 where: bonds (distance) C4'-P energy: -8.053 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -9.871 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -120.568379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.568379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.568379 (E_RNA) where: Base-Base interactions energy: -80.023 where: short stacking energy: -29.797 Base-Backbone interact. energy: -0.616 local terms energy: -39.929507 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -8.234 flat angles C4'-P-C4' energy: -9.603 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -7.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -114.713268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.713268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.713268 (E_RNA) where: Base-Base interactions energy: -80.388 where: short stacking energy: -31.005 Base-Backbone interact. energy: 0.381 local terms energy: -34.705673 where: bonds (distance) C4'-P energy: -5.925 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -7.502 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: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -118.734131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.734131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.734131 (E_RNA) where: Base-Base interactions energy: -82.238 where: short stacking energy: -30.033 Base-Backbone interact. energy: -0.539 local terms energy: -35.957083 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -9.678 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -6.510 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: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -65.256122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.256122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.256122 (E_RNA) where: Base-Base interactions energy: -24.111 where: short stacking energy: -24.111 Base-Backbone interact. energy: -0.091 local terms energy: -41.053598 where: bonds (distance) C4'-P energy: -9.283 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -9.855 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -6.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -107.700048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.700048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.700048 (E_RNA) where: Base-Base interactions energy: -65.768 where: short stacking energy: -27.227 Base-Backbone interact. energy: -0.149 local terms energy: -41.782827 where: bonds (distance) C4'-P energy: -10.309 bonds (distance) P-C4' energy: -9.380 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -6.424 tors. eta vs tors. theta energy: -8.168 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: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -105.909301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.909301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.909301 (E_RNA) where: Base-Base interactions energy: -67.759 where: short stacking energy: -24.833 Base-Backbone interact. energy: -0.005 local terms energy: -38.145452 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -5.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -101.990292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.990292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.990292 (E_RNA) where: Base-Base interactions energy: -66.673 where: short stacking energy: -28.910 Base-Backbone interact. energy: -0.040 local terms energy: -35.277110 where: bonds (distance) C4'-P energy: -5.996 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -56.283251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.283251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.283251 (E_RNA) where: Base-Base interactions energy: -25.009 where: short stacking energy: -16.150 Base-Backbone interact. energy: -0.349 local terms energy: -30.925634 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: 0.316 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: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -54.145485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.145485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.145485 (E_RNA) where: Base-Base interactions energy: -21.553 where: short stacking energy: -14.996 Base-Backbone interact. energy: -0.031 local terms energy: -32.562075 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -9.177 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -50.951021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.951021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.951021 (E_RNA) where: Base-Base interactions energy: -23.824 where: short stacking energy: -17.780 Base-Backbone interact. energy: -0.002 local terms energy: -27.125041 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -6.895 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -119.268850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.268850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.268850 (E_RNA) where: Base-Base interactions energy: -77.446 where: short stacking energy: -32.092 Base-Backbone interact. energy: -0.209 local terms energy: -41.613644 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -7.014 tors. eta vs tors. theta energy: -8.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -118.491734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.491734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.491734 (E_RNA) where: Base-Base interactions energy: -74.214 where: short stacking energy: -36.775 Base-Backbone interact. energy: -0.024 local terms energy: -44.253648 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -10.603 flat angles P-C4'-P energy: -6.083 tors. eta vs tors. theta energy: -9.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -108.908681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.908681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.908681 (E_RNA) where: Base-Base interactions energy: -71.746 where: short stacking energy: -31.635 Base-Backbone interact. energy: -0.002 local terms energy: -37.160471 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -8.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -107.313224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.313224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.313224 (E_RNA) where: Base-Base interactions energy: -63.289 where: short stacking energy: -28.149 Base-Backbone interact. energy: -0.215 local terms energy: -43.809727 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -9.367 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -7.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -63.363693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.363693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.363693 (E_RNA) where: Base-Base interactions energy: -31.729 where: short stacking energy: -30.799 Base-Backbone interact. energy: -0.009 local terms energy: -31.625477 where: bonds (distance) C4'-P energy: -3.288 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -8.509 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -6.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -102.338688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.338688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.338688 (E_RNA) where: Base-Base interactions energy: -66.452 where: short stacking energy: -26.426 Base-Backbone interact. energy: -0.694 local terms energy: -35.193170 where: bonds (distance) C4'-P energy: -9.565 bonds (distance) P-C4' energy: -5.564 flat angles C4'-P-C4' energy: -8.259 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -8.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -59.870738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.870738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.870738 (E_RNA) where: Base-Base interactions energy: -27.502 where: short stacking energy: -16.340 Base-Backbone interact. energy: 0.540 local terms energy: -32.909031 where: bonds (distance) C4'-P energy: -6.659 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -8.884 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: -0.904 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: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -57.390806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.390806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.390806 (E_RNA) where: Base-Base interactions energy: -21.539 where: short stacking energy: -19.067 Base-Backbone interact. energy: -0.001 local terms energy: -35.850518 where: bonds (distance) C4'-P energy: -8.128 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -8.998 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -4.168 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: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -64.128176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.128176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.128176 (E_RNA) where: Base-Base interactions energy: -21.429 where: short stacking energy: -20.605 Base-Backbone interact. energy: -0.000 local terms energy: -42.698951 where: bonds (distance) C4'-P energy: -7.798 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: -8.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -54.804735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.804735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.804735 (E_RNA) where: Base-Base interactions energy: -23.403 where: short stacking energy: -21.522 Base-Backbone interact. energy: -0.036 local terms energy: -31.365936 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -5.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -124.038910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.038910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.038910 (E_RNA) where: Base-Base interactions energy: -85.752 where: short stacking energy: -35.231 Base-Backbone interact. energy: -0.685 local terms energy: -37.602054 where: bonds (distance) C4'-P energy: -7.896 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -10.290 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -6.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -116.623090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.623090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.623090 (E_RNA) where: Base-Base interactions energy: -75.404 where: short stacking energy: -31.597 Base-Backbone interact. energy: -0.082 local terms energy: -41.136886 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -7.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -114.230588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.230588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.230588 (E_RNA) where: Base-Base interactions energy: -75.221 where: short stacking energy: -28.675 Base-Backbone interact. energy: -0.013 local terms energy: -38.996153 where: bonds (distance) C4'-P energy: -9.155 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -7.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -104.388199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.388199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.388199 (E_RNA) where: Base-Base interactions energy: -64.961 where: short stacking energy: -30.068 Base-Backbone interact. energy: -0.102 local terms energy: -39.324956 where: bonds (distance) C4'-P energy: -8.199 bonds (distance) P-C4' energy: -9.877 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -106.430793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.430793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.430793 (E_RNA) where: Base-Base interactions energy: -67.083 where: short stacking energy: -32.375 Base-Backbone interact. energy: -0.030 local terms energy: -39.318600 where: bonds (distance) C4'-P energy: -6.609 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -9.819 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -8.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -60.636506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.636506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.636506 (E_RNA) where: Base-Base interactions energy: -23.581 where: short stacking energy: -23.581 Base-Backbone interact. energy: -0.004 local terms energy: -37.051902 where: bonds (distance) C4'-P energy: -6.679 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -56.492732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.492732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.492732 (E_RNA) where: Base-Base interactions energy: -24.807 where: short stacking energy: -22.119 Base-Backbone interact. energy: -0.003 local terms energy: -31.682740 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -9.333 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -5.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -51.388428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.388428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.388428 (E_RNA) where: Base-Base interactions energy: -17.153 where: short stacking energy: -17.153 Base-Backbone interact. energy: -0.093 local terms energy: -34.142579 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -7.346 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -51.642835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.642835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.642835 (E_RNA) where: Base-Base interactions energy: -20.207 where: short stacking energy: -20.207 Base-Backbone interact. energy: -0.111 local terms energy: -31.325171 where: bonds (distance) C4'-P energy: -8.960 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -46.682843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.682843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.682843 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.385 Base-Backbone interact. energy: -0.087 local terms energy: -32.877366 where: bonds (distance) C4'-P energy: -7.900 bonds (distance) P-C4' energy: -10.147 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -2.601 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: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -112.940842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.940842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.940842 (E_RNA) where: Base-Base interactions energy: -71.465 where: short stacking energy: -33.536 Base-Backbone interact. energy: -0.368 local terms energy: -41.108074 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -12.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -119.904353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.904353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.904353 (E_RNA) where: Base-Base interactions energy: -81.612 where: short stacking energy: -30.315 Base-Backbone interact. energy: -0.001 local terms energy: -38.291538 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.794 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -116.944774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.944774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.944774 (E_RNA) where: Base-Base interactions energy: -82.268 where: short stacking energy: -36.445 Base-Backbone interact. energy: -0.007 local terms energy: -34.669992 where: bonds (distance) C4'-P energy: -8.368 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -9.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -118.635892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.635892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.635892 (E_RNA) where: Base-Base interactions energy: -74.747 where: short stacking energy: -31.594 Base-Backbone interact. energy: -0.001 local terms energy: -43.887860 where: bonds (distance) C4'-P energy: -8.338 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -10.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -111.294899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.294899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.294899 (E_RNA) where: Base-Base interactions energy: -75.357 where: short stacking energy: -29.356 Base-Backbone interact. energy: -0.004 local terms energy: -35.933818 where: bonds (distance) C4'-P energy: -8.679 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -52.923284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.923284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.923284 (E_RNA) where: Base-Base interactions energy: -14.543 where: short stacking energy: -14.484 Base-Backbone interact. energy: -0.179 local terms energy: -38.200391 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -58.602536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.602536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.602536 (E_RNA) where: Base-Base interactions energy: -21.377 where: short stacking energy: -15.700 Base-Backbone interact. energy: -0.048 local terms energy: -37.178099 where: bonds (distance) C4'-P energy: -6.804 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -9.489 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -54.515913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.515913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.515913 (E_RNA) where: Base-Base interactions energy: -25.476 where: short stacking energy: -21.109 Base-Backbone interact. energy: -0.126 local terms energy: -28.914318 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: 0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -51.499507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.499507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.499507 (E_RNA) where: Base-Base interactions energy: -22.799 where: short stacking energy: -22.799 Base-Backbone interact. energy: -0.106 local terms energy: -28.594929 where: bonds (distance) C4'-P energy: -4.542 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -9.776 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -3.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -44.332057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.332057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.332057 (E_RNA) where: Base-Base interactions energy: -11.522 where: short stacking energy: -9.296 Base-Backbone interact. energy: -0.024 local terms energy: -32.785814 where: bonds (distance) C4'-P energy: -8.517 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: 1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -117.218696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.218696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.218696 (E_RNA) where: Base-Base interactions energy: -76.066 where: short stacking energy: -35.396 Base-Backbone interact. energy: -0.062 local terms energy: -41.090702 where: bonds (distance) C4'-P energy: -8.740 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -1.888 tors. eta vs tors. theta energy: -11.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -116.925578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.925578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.925578 (E_RNA) where: Base-Base interactions energy: -76.701 where: short stacking energy: -31.482 Base-Backbone interact. energy: -0.011 local terms energy: -40.213763 where: bonds (distance) C4'-P energy: -8.769 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -7.992 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -7.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -112.948715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.948715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.948715 (E_RNA) where: Base-Base interactions energy: -72.630 where: short stacking energy: -34.293 Base-Backbone interact. energy: -0.001 local terms energy: -40.317907 where: bonds (distance) C4'-P energy: -4.105 bonds (distance) P-C4' energy: -9.281 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -10.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -109.101176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.101176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.101176 (E_RNA) where: Base-Base interactions energy: -72.845 where: short stacking energy: -26.920 Base-Backbone interact. energy: -0.599 local terms energy: -35.658001 where: bonds (distance) C4'-P energy: -9.164 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -8.013 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: 4 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -67.351411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.351411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.351411 (E_RNA) where: Base-Base interactions energy: -31.508 where: short stacking energy: -23.669 Base-Backbone interact. energy: -0.392 local terms energy: -35.451198 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -107.500825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.500825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.500825 (E_RNA) where: Base-Base interactions energy: -70.398 where: short stacking energy: -32.357 Base-Backbone interact. energy: -0.102 local terms energy: -37.001386 where: bonds (distance) C4'-P energy: -8.061 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -9.375 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -7.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -53.086847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.086847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.086847 (E_RNA) where: Base-Base interactions energy: -19.097 where: short stacking energy: -18.909 Base-Backbone interact. energy: 1.799 local terms energy: -35.788348 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -7.935 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -53.056328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.056328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.056328 (E_RNA) where: Base-Base interactions energy: -23.106 where: short stacking energy: -22.469 Base-Backbone interact. energy: -0.095 local terms energy: -29.855551 where: bonds (distance) C4'-P energy: -10.061 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.416 flat angles P-C4'-P energy: -1.037 tors. eta vs tors. theta energy: -1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -54.479574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.479574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.479574 (E_RNA) where: Base-Base interactions energy: -25.483 where: short stacking energy: -15.208 Base-Backbone interact. energy: -0.139 local terms energy: -28.858002 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: 2.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -50.390150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.390150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.390150 (E_RNA) where: Base-Base interactions energy: -21.832 where: short stacking energy: -10.101 Base-Backbone interact. energy: -0.890 local terms energy: -27.668444 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: 1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -119.819895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.819895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.819895 (E_RNA) where: Base-Base interactions energy: -77.566 where: short stacking energy: -37.122 Base-Backbone interact. energy: -0.595 local terms energy: -41.658780 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -10.078 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -7.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -112.873358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.873358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.873358 (E_RNA) where: Base-Base interactions energy: -68.435 where: short stacking energy: -25.633 Base-Backbone interact. energy: -0.011 local terms energy: -44.427409 where: bonds (distance) C4'-P energy: -9.911 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -9.484 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -6.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -115.401547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.401547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.401547 (E_RNA) where: Base-Base interactions energy: -77.686 where: short stacking energy: -30.100 Base-Backbone interact. energy: -0.008 local terms energy: -37.706781 where: bonds (distance) C4'-P energy: -5.905 bonds (distance) P-C4' energy: -8.295 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -8.345 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -106.853402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.853402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.853402 (E_RNA) where: Base-Base interactions energy: -74.650 where: short stacking energy: -27.298 Base-Backbone interact. energy: -0.088 local terms energy: -32.115362 where: bonds (distance) C4'-P energy: -7.449 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -6.509 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -60.146139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.146139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.146139 (E_RNA) where: Base-Base interactions energy: -24.959 where: short stacking energy: -24.959 Base-Backbone interact. energy: -0.001 local terms energy: -35.185739 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -10.534 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -108.603654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.603654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.603654 (E_RNA) where: Base-Base interactions energy: -70.333 where: short stacking energy: -26.695 Base-Backbone interact. energy: -0.013 local terms energy: -38.257863 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -10.057 flat angles C4'-P-C4' energy: -10.072 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -7.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -53.696838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.696838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.696838 (E_RNA) where: Base-Base interactions energy: -25.856 where: short stacking energy: -22.990 Base-Backbone interact. energy: -0.877 local terms energy: -26.963374 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -1.032 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -51.865168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.865168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.865168 (E_RNA) where: Base-Base interactions energy: -24.285 where: short stacking energy: -15.303 Base-Backbone interact. energy: -0.086 local terms energy: -27.493879 where: bonds (distance) C4'-P energy: -9.911 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -1.773 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -44.867901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.867901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.867901 (E_RNA) where: Base-Base interactions energy: -13.165 where: short stacking energy: -6.202 Base-Backbone interact. energy: -0.064 local terms energy: -31.638917 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -1.849 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -48.278214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.278214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.278214 (E_RNA) where: Base-Base interactions energy: -15.234 where: short stacking energy: -9.915 Base-Backbone interact. energy: 0.765 local terms energy: -33.809718 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -1.792 tors. eta vs tors. theta energy: -5.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -122.965727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.965727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.965727 (E_RNA) where: Base-Base interactions energy: -86.464 where: short stacking energy: -33.421 Base-Backbone interact. energy: -0.084 local terms energy: -36.417458 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -8.358 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: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -108.706879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.706879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.706879 (E_RNA) where: Base-Base interactions energy: -68.079 where: short stacking energy: -28.114 Base-Backbone interact. energy: 0.238 local terms energy: -40.866046 where: bonds (distance) C4'-P energy: -9.717 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -6.614 tors. eta vs tors. theta energy: -4.582 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: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -109.091950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.091950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.091950 (E_RNA) where: Base-Base interactions energy: -66.805 where: short stacking energy: -28.302 Base-Backbone interact. energy: -0.007 local terms energy: -42.280100 where: bonds (distance) C4'-P energy: -8.501 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -8.340 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: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -114.470823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.470823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.470823 (E_RNA) where: Base-Base interactions energy: -74.908 where: short stacking energy: -29.364 Base-Backbone interact. energy: -0.123 local terms energy: -39.440248 where: bonds (distance) C4'-P energy: -8.315 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: -8.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -104.304830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.304830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.304830 (E_RNA) where: Base-Base interactions energy: -72.775 where: short stacking energy: -26.293 Base-Backbone interact. energy: 0.672 local terms energy: -32.200955 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -8.039 flat angles C4'-P-C4' energy: -7.750 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -55.976380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.976380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.976380 (E_RNA) where: Base-Base interactions energy: -18.515 where: short stacking energy: -18.515 Base-Backbone interact. energy: -0.081 local terms energy: -37.379844 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -9.538 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -6.955 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: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -55.655412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.655412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.655412 (E_RNA) where: Base-Base interactions energy: -28.764 where: short stacking energy: -15.485 Base-Backbone interact. energy: 2.257 local terms energy: -29.148500 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -7.941 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -51.184509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.184509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.184509 (E_RNA) where: Base-Base interactions energy: -23.796 where: short stacking energy: -10.669 Base-Backbone interact. energy: -0.423 local terms energy: -26.965596 where: bonds (distance) C4'-P energy: -5.914 bonds (distance) P-C4' energy: -9.541 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -2.128 tors. eta vs tors. theta energy: -1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -49.766953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.766953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.766953 (E_RNA) where: Base-Base interactions energy: -20.834 where: short stacking energy: -20.834 Base-Backbone interact. energy: -0.013 local terms energy: -28.919768 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -1.818 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -59.497713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.497713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.497713 (E_RNA) where: Base-Base interactions energy: -21.460 where: short stacking energy: -21.460 Base-Backbone interact. energy: -0.640 local terms energy: -37.397473 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -122.301181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.301181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.301181 (E_RNA) where: Base-Base interactions energy: -86.349 where: short stacking energy: -34.950 Base-Backbone interact. energy: -0.011 local terms energy: -35.941970 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -9.227 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -1.109 tors. eta vs tors. theta energy: -8.802 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: 119 Temperature: 0.950000 Total energy: -113.439787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.439787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.439787 (E_RNA) where: Base-Base interactions energy: -78.771 where: short stacking energy: -30.789 Base-Backbone interact. energy: -0.042 local terms energy: -34.626469 where: bonds (distance) C4'-P energy: -8.725 bonds (distance) P-C4' energy: -10.029 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -6.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -113.066433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.066433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.066433 (E_RNA) where: Base-Base interactions energy: -75.355 where: short stacking energy: -34.020 Base-Backbone interact. energy: -0.002 local terms energy: -37.709880 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -111.595445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.595445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.595445 (E_RNA) where: Base-Base interactions energy: -73.129 where: short stacking energy: -29.205 Base-Backbone interact. energy: -0.008 local terms energy: -38.457954 where: bonds (distance) C4'-P energy: -7.007 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -6.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -111.498181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.498181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.498181 (E_RNA) where: Base-Base interactions energy: -75.811 where: short stacking energy: -32.375 Base-Backbone interact. energy: -0.120 local terms energy: -35.567288 where: bonds (distance) C4'-P energy: -8.268 bonds (distance) P-C4' energy: -7.801 flat angles C4'-P-C4' energy: -9.313 flat angles P-C4'-P energy: -1.690 tors. eta vs tors. theta energy: -8.496 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: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -63.023411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.023411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.023411 (E_RNA) where: Base-Base interactions energy: -27.941 where: short stacking energy: -19.098 Base-Backbone interact. energy: -0.005 local terms energy: -35.077254 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -60.171747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.171747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.171747 (E_RNA) where: Base-Base interactions energy: -20.839 where: short stacking energy: -19.805 Base-Backbone interact. energy: -0.876 local terms energy: -38.456087 where: bonds (distance) C4'-P energy: -8.286 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -8.415 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -55.536128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.536128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.536128 (E_RNA) where: Base-Base interactions energy: -29.387 where: short stacking energy: -19.486 Base-Backbone interact. energy: 1.559 local terms energy: -27.707998 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -6.264 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -1.426 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: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -49.376767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.376767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.376767 (E_RNA) where: Base-Base interactions energy: -15.977 where: short stacking energy: -15.977 Base-Backbone interact. energy: -0.002 local terms energy: -33.398356 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -9.543 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -52.596088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.596088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.596088 (E_RNA) where: Base-Base interactions energy: -18.550 where: short stacking energy: -18.550 Base-Backbone interact. energy: -0.039 local terms energy: -34.007439 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -6.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -113.610149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.610149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.610149 (E_RNA) where: Base-Base interactions energy: -74.184 where: short stacking energy: -28.074 Base-Backbone interact. energy: -0.096 local terms energy: -39.330342 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -9.284 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -8.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -116.109037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.109037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.109037 (E_RNA) where: Base-Base interactions energy: -80.514 where: short stacking energy: -29.744 Base-Backbone interact. energy: -0.097 local terms energy: -35.497772 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -7.837 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -8.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -107.571077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.571077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.571077 (E_RNA) where: Base-Base interactions energy: -71.594 where: short stacking energy: -29.788 Base-Backbone interact. energy: -0.639 local terms energy: -35.338043 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -9.843 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -7.034 tors. eta vs tors. theta energy: -5.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -108.906695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.906695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.906695 (E_RNA) where: Base-Base interactions energy: -74.090 where: short stacking energy: -30.233 Base-Backbone interact. energy: 0.649 local terms energy: -35.465143 where: bonds (distance) C4'-P energy: -8.248 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -107.337420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.337420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.337420 (E_RNA) where: Base-Base interactions energy: -70.295 where: short stacking energy: -25.700 Base-Backbone interact. energy: -0.005 local terms energy: -37.037040 where: bonds (distance) C4'-P energy: -7.735 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -9.733 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -8.303 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: 6, replica: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -61.999141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.999141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.999141 (E_RNA) where: Base-Base interactions energy: -33.790 where: short stacking energy: -23.852 Base-Backbone interact. energy: -0.004 local terms energy: -28.204768 where: bonds (distance) C4'-P energy: -7.051 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -3.014 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -5.912 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: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -75.424665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.424665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.424665 (E_RNA) where: Base-Base interactions energy: -36.273 where: short stacking energy: -18.783 Base-Backbone interact. energy: -0.077 local terms energy: -39.074369 where: bonds (distance) C4'-P energy: -8.545 bonds (distance) P-C4' energy: -10.398 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -55.769578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.769578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.769578 (E_RNA) where: Base-Base interactions energy: -18.396 where: short stacking energy: -18.396 Base-Backbone interact. energy: -0.022 local terms energy: -37.352277 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -9.112 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -49.830554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.830554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.830554 (E_RNA) where: Base-Base interactions energy: -17.176 where: short stacking energy: -17.176 Base-Backbone interact. energy: -0.029 local terms energy: -32.625642 where: bonds (distance) C4'-P energy: -9.296 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -1.738 tors. eta vs tors. theta energy: -4.171 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: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -44.700689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.700689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.700689 (E_RNA) where: Base-Base interactions energy: -16.952 where: short stacking energy: -15.074 Base-Backbone interact. energy: -0.015 local terms energy: -27.732738 where: bonds (distance) C4'-P energy: -7.069 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -2.891 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -2.000 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: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -114.950256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.950256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.950256 (E_RNA) where: Base-Base interactions energy: -74.070 where: short stacking energy: -33.110 Base-Backbone interact. energy: -0.128 local terms energy: -40.752342 where: bonds (distance) C4'-P energy: -9.104 bonds (distance) P-C4' energy: -9.862 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -9.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -114.906779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.906779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.906779 (E_RNA) where: Base-Base interactions energy: -69.713 where: short stacking energy: -31.404 Base-Backbone interact. energy: -0.846 local terms energy: -44.347498 where: bonds (distance) C4'-P energy: -8.144 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -8.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -116.859672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.859672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.859672 (E_RNA) where: Base-Base interactions energy: -75.821 where: short stacking energy: -33.764 Base-Backbone interact. energy: -1.120 local terms energy: -39.918761 where: bonds (distance) C4'-P energy: -8.071 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -9.131 flat angles P-C4'-P energy: -6.751 tors. eta vs tors. theta energy: -5.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -107.163389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.163389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.163389 (E_RNA) where: Base-Base interactions energy: -64.618 where: short stacking energy: -30.609 Base-Backbone interact. energy: -0.535 local terms energy: -42.011237 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -10.150 flat angles C4'-P-C4' energy: -9.850 flat angles P-C4'-P energy: -8.245 tors. eta vs tors. theta energy: -6.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -108.614296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.614296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.614296 (E_RNA) where: Base-Base interactions energy: -79.729 where: short stacking energy: -25.243 Base-Backbone interact. energy: -0.001 local terms energy: -28.884019 where: bonds (distance) C4'-P energy: -5.590 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -2.514 tors. eta vs tors. theta energy: -6.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -92.833384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.833384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.833384 (E_RNA) where: Base-Base interactions energy: -60.113 where: short stacking energy: -20.641 Base-Backbone interact. energy: -0.001 local terms energy: -32.719358 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -10.649 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -62.494194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.494194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.494194 (E_RNA) where: Base-Base interactions energy: -22.602 where: short stacking energy: -16.326 Base-Backbone interact. energy: 0.110 local terms energy: -40.002800 where: bonds (distance) C4'-P energy: -8.588 bonds (distance) P-C4' energy: -9.333 flat angles C4'-P-C4' energy: -9.895 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -55.771511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.771511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.771511 (E_RNA) where: Base-Base interactions energy: -22.650 where: short stacking energy: -19.456 Base-Backbone interact. energy: -0.009 local terms energy: -33.112289 where: bonds (distance) C4'-P energy: -8.625 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -9.462 flat angles P-C4'-P energy: -6.148 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -51.499051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.499051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.499051 (E_RNA) where: Base-Base interactions energy: -22.820 where: short stacking energy: -22.820 Base-Backbone interact. energy: -0.001 local terms energy: -28.678807 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -50.514096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.514096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.514096 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.230 local terms energy: -37.336536 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -114.773376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.773376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.773376 (E_RNA) where: Base-Base interactions energy: -78.152 where: short stacking energy: -35.643 Base-Backbone interact. energy: -0.069 local terms energy: -36.552489 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: -8.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -115.328369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.328369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.328369 (E_RNA) where: Base-Base interactions energy: -71.510 where: short stacking energy: -26.994 Base-Backbone interact. energy: -0.467 local terms energy: -43.351707 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -10.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -117.494776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.494776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.494776 (E_RNA) where: Base-Base interactions energy: -75.848 where: short stacking energy: -35.918 Base-Backbone interact. energy: -0.002 local terms energy: -41.644631 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -9.463 flat angles C4'-P-C4' energy: -9.089 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -9.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -112.651067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.651067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.651067 (E_RNA) where: Base-Base interactions energy: -72.593 where: short stacking energy: -28.360 Base-Backbone interact. energy: -0.470 local terms energy: -39.588977 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -7.399 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -9.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -108.681245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.681245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.681245 (E_RNA) where: Base-Base interactions energy: -66.760 where: short stacking energy: -28.769 Base-Backbone interact. energy: -0.000 local terms energy: -41.920816 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -9.664 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -9.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -97.898535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.898535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.898535 (E_RNA) where: Base-Base interactions energy: -67.723 where: short stacking energy: -25.346 Base-Backbone interact. energy: 0.142 local terms energy: -30.317488 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: 0.177 tors. eta vs tors. theta energy: -1.426 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: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -62.219144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.219144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.219144 (E_RNA) where: Base-Base interactions energy: -26.102 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.067 local terms energy: -36.049473 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -9.746 flat angles C4'-P-C4' energy: -10.728 flat angles P-C4'-P energy: -2.209 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -52.883585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.883585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.883585 (E_RNA) where: Base-Base interactions energy: -14.731 where: short stacking energy: -14.183 Base-Backbone interact. energy: -0.000 local terms energy: -38.152703 where: bonds (distance) C4'-P energy: -9.601 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -8.787 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -49.751853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.751853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.751853 (E_RNA) where: Base-Base interactions energy: -11.846 where: short stacking energy: -11.846 Base-Backbone interact. energy: -0.941 local terms energy: -36.964257 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -6.346 tors. eta vs tors. theta energy: -3.620 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: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -48.319217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.319217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.319217 (E_RNA) where: Base-Base interactions energy: -14.119 where: short stacking energy: -14.119 Base-Backbone interact. energy: 0.016 local terms energy: -34.216380 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -124.723314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.723314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.723314 (E_RNA) where: Base-Base interactions energy: -81.994 where: short stacking energy: -36.879 Base-Backbone interact. energy: -0.000 local terms energy: -42.729195 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -10.346 flat angles P-C4'-P energy: -2.890 tors. eta vs tors. theta energy: -9.454 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: 123 Temperature: 0.950000 Total energy: -115.232060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.232060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.232060 (E_RNA) where: Base-Base interactions energy: -70.253 where: short stacking energy: -26.911 Base-Backbone interact. energy: -0.056 local terms energy: -44.923719 where: bonds (distance) C4'-P energy: -8.111 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -10.131 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -9.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -104.702855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.702855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.702855 (E_RNA) where: Base-Base interactions energy: -67.717 where: short stacking energy: -28.278 Base-Backbone interact. energy: -0.012 local terms energy: -36.973629 where: bonds (distance) C4'-P energy: -7.875 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -7.296 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -104.179883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.179883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.179883 (E_RNA) where: Base-Base interactions energy: -70.211 where: short stacking energy: -23.876 Base-Backbone interact. energy: -0.646 local terms energy: -33.322789 where: bonds (distance) C4'-P energy: -8.940 bonds (distance) P-C4' energy: -7.920 flat angles C4'-P-C4' energy: -9.220 flat angles P-C4'-P energy: -1.575 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -106.451197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.451197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.451197 (E_RNA) where: Base-Base interactions energy: -69.518 where: short stacking energy: -28.679 Base-Backbone interact. energy: -0.655 local terms energy: -36.278426 where: bonds (distance) C4'-P energy: -7.677 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -63.142683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.142683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.142683 (E_RNA) where: Base-Base interactions energy: -30.254 where: short stacking energy: -23.376 Base-Backbone interact. energy: -0.140 local terms energy: -32.747976 where: bonds (distance) C4'-P energy: -10.239 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -62.129192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.129192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.129192 (E_RNA) where: Base-Base interactions energy: -27.666 where: short stacking energy: -24.470 Base-Backbone interact. energy: -0.043 local terms energy: -34.420141 where: bonds (distance) C4'-P energy: -4.717 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -7.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -60.994830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.994830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.994830 (E_RNA) where: Base-Base interactions energy: -21.793 where: short stacking energy: -21.264 Base-Backbone interact. energy: -0.042 local terms energy: -39.159905 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -59.806601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.806601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.806601 (E_RNA) where: Base-Base interactions energy: -22.902 where: short stacking energy: -15.737 Base-Backbone interact. energy: -0.002 local terms energy: -36.903389 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -4.262 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: 123 Temperature: 1.350000 Total energy: -49.096131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.096131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.096131 (E_RNA) where: Base-Base interactions energy: -16.499 where: short stacking energy: -16.191 Base-Backbone interact. energy: -0.000 local terms energy: -32.597325 where: bonds (distance) C4'-P energy: -7.713 bonds (distance) P-C4' energy: -9.775 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -2.320 tors. eta vs tors. theta energy: -4.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -117.886343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.886343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.886343 (E_RNA) where: Base-Base interactions energy: -72.210 where: short stacking energy: -32.942 Base-Backbone interact. energy: -0.075 local terms energy: -45.601139 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -9.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -117.785139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.785139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.785139 (E_RNA) where: Base-Base interactions energy: -73.533 where: short stacking energy: -32.344 Base-Backbone interact. energy: -0.092 local terms energy: -44.159806 where: bonds (distance) C4'-P energy: -9.332 bonds (distance) P-C4' energy: -10.361 flat angles C4'-P-C4' energy: -10.622 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -9.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -115.776561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.776561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.776561 (E_RNA) where: Base-Base interactions energy: -80.894 where: short stacking energy: -34.711 Base-Backbone interact. energy: -0.312 local terms energy: -34.570809 where: bonds (distance) C4'-P energy: -5.822 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -9.632 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: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -107.476411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.476411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.476411 (E_RNA) where: Base-Base interactions energy: -71.598 where: short stacking energy: -32.302 Base-Backbone interact. energy: -0.019 local terms energy: -35.859386 where: bonds (distance) C4'-P energy: -7.064 bonds (distance) P-C4' energy: -8.724 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -6.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -105.091566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.091566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.091566 (E_RNA) where: Base-Base interactions energy: -69.331 where: short stacking energy: -27.977 Base-Backbone interact. energy: -0.098 local terms energy: -35.662897 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -8.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -55.619607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.619607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.619607 (E_RNA) where: Base-Base interactions energy: -25.920 where: short stacking energy: -22.765 Base-Backbone interact. energy: -0.756 local terms energy: -28.943539 where: bonds (distance) C4'-P energy: -7.250 bonds (distance) P-C4' energy: -6.877 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -53.677642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.677642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.677642 (E_RNA) where: Base-Base interactions energy: -21.664 where: short stacking energy: -21.664 Base-Backbone interact. energy: -0.071 local terms energy: -31.942755 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -57.845496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.845496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.845496 (E_RNA) where: Base-Base interactions energy: -28.190 where: short stacking energy: -26.564 Base-Backbone interact. energy: -0.158 local terms energy: -29.496958 where: bonds (distance) C4'-P energy: -6.008 bonds (distance) P-C4' energy: -8.632 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -5.848 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: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -50.659645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.659645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.659645 (E_RNA) where: Base-Base interactions energy: -18.205 where: short stacking energy: -13.989 Base-Backbone interact. energy: -0.152 local terms energy: -32.302668 where: bonds (distance) C4'-P energy: -6.335 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -5.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -54.696606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.696606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.696606 (E_RNA) where: Base-Base interactions energy: -21.149 where: short stacking energy: -15.857 Base-Backbone interact. energy: -0.738 local terms energy: -32.809588 where: bonds (distance) C4'-P energy: -8.774 bonds (distance) P-C4' energy: -5.306 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -123.250380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.250380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.250380 (E_RNA) where: Base-Base interactions energy: -82.032 where: short stacking energy: -34.249 Base-Backbone interact. energy: -0.025 local terms energy: -41.193238 where: bonds (distance) C4'-P energy: -8.417 bonds (distance) P-C4' energy: -8.374 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -10.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -116.883167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.883167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.883167 (E_RNA) where: Base-Base interactions energy: -74.657 where: short stacking energy: -32.264 Base-Backbone interact. energy: -0.004 local terms energy: -42.221821 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -10.102 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: 5 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -112.106426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.106426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.106426 (E_RNA) where: Base-Base interactions energy: -70.944 where: short stacking energy: -29.118 Base-Backbone interact. energy: -0.003 local terms energy: -41.159096 where: bonds (distance) C4'-P energy: -8.662 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -6.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -113.989396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.989396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.989396 (E_RNA) where: Base-Base interactions energy: -79.470 where: short stacking energy: -32.167 Base-Backbone interact. energy: -0.001 local terms energy: -34.517977 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -7.993 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: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -110.843494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.843494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.843494 (E_RNA) where: Base-Base interactions energy: -72.616 where: short stacking energy: -28.913 Base-Backbone interact. energy: -0.094 local terms energy: -38.133533 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -7.765 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -8.449 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: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -50.626705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.626705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.626705 (E_RNA) where: Base-Base interactions energy: -12.331 where: short stacking energy: -10.776 Base-Backbone interact. energy: -0.170 local terms energy: -38.125222 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -9.295 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -51.526585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.526585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.526585 (E_RNA) where: Base-Base interactions energy: -20.987 where: short stacking energy: -17.356 Base-Backbone interact. energy: -0.087 local terms energy: -30.452905 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -8.964 flat angles C4'-P-C4' energy: -9.077 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: 3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -55.954613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.954613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.954613 (E_RNA) where: Base-Base interactions energy: -21.414 where: short stacking energy: -20.723 Base-Backbone interact. energy: -0.019 local terms energy: -34.521443 where: bonds (distance) C4'-P energy: -5.508 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.576 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -50.618576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.618576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.618576 (E_RNA) where: Base-Base interactions energy: -16.654 where: short stacking energy: -15.788 Base-Backbone interact. energy: -0.021 local terms energy: -33.943589 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -9.529 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -53.281852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.281852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.281852 (E_RNA) where: Base-Base interactions energy: -21.820 where: short stacking energy: -19.423 Base-Backbone interact. energy: -0.174 local terms energy: -31.287903 where: bonds (distance) C4'-P energy: -9.263 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -10.001 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: 0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -116.397215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.397215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.397215 (E_RNA) where: Base-Base interactions energy: -75.787 where: short stacking energy: -30.021 Base-Backbone interact. energy: -0.291 local terms energy: -40.319199 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -9.201 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -9.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -116.327081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.327081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.327081 (E_RNA) where: Base-Base interactions energy: -77.847 where: short stacking energy: -30.669 Base-Backbone interact. energy: -0.000 local terms energy: -38.479892 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -10.337 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -8.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -108.114993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.114993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.114993 (E_RNA) where: Base-Base interactions energy: -72.746 where: short stacking energy: -25.546 Base-Backbone interact. energy: -0.008 local terms energy: -35.361092 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -7.126 flat angles C4'-P-C4' energy: -10.320 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -8.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -106.265523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.265523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.265523 (E_RNA) where: Base-Base interactions energy: -64.884 where: short stacking energy: -30.325 Base-Backbone interact. energy: -0.010 local terms energy: -41.371491 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -8.931 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -7.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -109.904626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.904626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.904626 (E_RNA) where: Base-Base interactions energy: -76.765 where: short stacking energy: -26.935 Base-Backbone interact. energy: -0.008 local terms energy: -33.132051 where: bonds (distance) C4'-P energy: -7.573 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -8.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -69.887336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.887336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.887336 (E_RNA) where: Base-Base interactions energy: -30.168 where: short stacking energy: -29.559 Base-Backbone interact. energy: -0.000 local terms energy: -39.719355 where: bonds (distance) C4'-P energy: -7.491 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -6.512 tors. eta vs tors. theta energy: -9.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -53.562015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.562015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.562015 (E_RNA) where: Base-Base interactions energy: -19.688 where: short stacking energy: -14.523 Base-Backbone interact. energy: -0.239 local terms energy: -33.634393 where: bonds (distance) C4'-P energy: -7.826 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -56.976212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.976212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.976212 (E_RNA) where: Base-Base interactions energy: -25.298 where: short stacking energy: -23.416 Base-Backbone interact. energy: -0.058 local terms energy: -31.619771 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -51.427235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.427235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.427235 (E_RNA) where: Base-Base interactions energy: -19.640 where: short stacking energy: -17.013 Base-Backbone interact. energy: -0.166 local terms energy: -31.621314 where: bonds (distance) C4'-P energy: -8.980 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -48.022139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.022139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.022139 (E_RNA) where: Base-Base interactions energy: -23.667 where: short stacking energy: -9.721 Base-Backbone interact. energy: -0.078 local terms energy: -24.277285 where: bonds (distance) C4'-P energy: -3.785 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -1.324 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -115.918205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.918205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.918205 (E_RNA) where: Base-Base interactions energy: -67.492 where: short stacking energy: -27.403 Base-Backbone interact. energy: -0.004 local terms energy: -48.421993 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -9.717 flat angles C4'-P-C4' energy: -9.690 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -11.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -118.484069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.484069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.484069 (E_RNA) where: Base-Base interactions energy: -81.210 where: short stacking energy: -32.652 Base-Backbone interact. energy: -0.062 local terms energy: -37.211894 where: bonds (distance) C4'-P energy: -7.718 bonds (distance) P-C4' energy: -10.138 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -6.179 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: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -113.369707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.369707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.369707 (E_RNA) where: Base-Base interactions energy: -72.272 where: short stacking energy: -35.591 Base-Backbone interact. energy: -0.067 local terms energy: -41.031381 where: bonds (distance) C4'-P energy: -9.295 bonds (distance) P-C4' energy: -9.543 flat angles C4'-P-C4' energy: -9.387 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -7.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -113.377995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.377995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.377995 (E_RNA) where: Base-Base interactions energy: -70.686 where: short stacking energy: -30.064 Base-Backbone interact. energy: -0.424 local terms energy: -42.267917 where: bonds (distance) C4'-P energy: -8.703 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -9.998 flat angles P-C4'-P energy: -7.399 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -99.797958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.797958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.797958 (E_RNA) where: Base-Base interactions energy: -67.459 where: short stacking energy: -25.671 Base-Backbone interact. energy: -0.093 local terms energy: -32.245767 where: bonds (distance) C4'-P energy: -8.302 bonds (distance) P-C4' energy: -8.935 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -64.026562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.026562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.026562 (E_RNA) where: Base-Base interactions energy: -32.150 where: short stacking energy: -25.871 Base-Backbone interact. energy: -0.001 local terms energy: -31.875954 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -8.689 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: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -62.863966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.863966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.863966 (E_RNA) where: Base-Base interactions energy: -32.137 where: short stacking energy: -15.247 Base-Backbone interact. energy: -0.095 local terms energy: -30.631815 where: bonds (distance) C4'-P energy: -8.816 bonds (distance) P-C4' energy: -9.601 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: 0.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -67.043319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.043319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.043319 (E_RNA) where: Base-Base interactions energy: -37.359 where: short stacking energy: -9.154 Base-Backbone interact. energy: -0.028 local terms energy: -29.656277 where: bonds (distance) C4'-P energy: -8.632 bonds (distance) P-C4' energy: -10.563 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -2.490 tors. eta vs tors. theta energy: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -47.585086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.585086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.585086 (E_RNA) where: Base-Base interactions energy: -21.491 where: short stacking energy: -21.491 Base-Backbone interact. energy: 0.313 local terms energy: -26.406893 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.057 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -1.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -54.917523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.917523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.917523 (E_RNA) where: Base-Base interactions energy: -25.958 where: short stacking energy: -17.278 Base-Backbone interact. energy: -0.021 local terms energy: -28.938327 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -0.960 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -121.956090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.956090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.956090 (E_RNA) where: Base-Base interactions energy: -81.851 where: short stacking energy: -33.041 Base-Backbone interact. energy: -0.006 local terms energy: -40.099878 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -11.374 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -9.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -113.930001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.930001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.930001 (E_RNA) where: Base-Base interactions energy: -74.824 where: short stacking energy: -26.669 Base-Backbone interact. energy: -0.832 local terms energy: -38.273593 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -7.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -110.162908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.162908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.162908 (E_RNA) where: Base-Base interactions energy: -69.425 where: short stacking energy: -30.532 Base-Backbone interact. energy: -0.002 local terms energy: -40.736205 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -8.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -108.978996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.978996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.978996 (E_RNA) where: Base-Base interactions energy: -69.147 where: short stacking energy: -31.509 Base-Backbone interact. energy: -0.684 local terms energy: -39.147878 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: -10.249 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: 5, replica: 7 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -61.990969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.990969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.990969 (E_RNA) where: Base-Base interactions energy: -25.530 where: short stacking energy: -25.530 Base-Backbone interact. energy: -0.034 local terms energy: -36.427211 where: bonds (distance) C4'-P energy: -9.544 bonds (distance) P-C4' energy: -7.319 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -4.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -101.172144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.172144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.172144 (E_RNA) where: Base-Base interactions energy: -65.241 where: short stacking energy: -24.348 Base-Backbone interact. energy: -0.006 local terms energy: -35.925603 where: bonds (distance) C4'-P energy: -8.128 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -5.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -56.634993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.634993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.634993 (E_RNA) where: Base-Base interactions energy: -26.117 where: short stacking energy: -13.512 Base-Backbone interact. energy: 0.108 local terms energy: -30.626538 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -9.601 flat angles C4'-P-C4' energy: -9.157 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -66.712936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.712936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.712936 (E_RNA) where: Base-Base interactions energy: -33.986 where: short stacking energy: -19.169 Base-Backbone interact. energy: -0.010 local terms energy: -32.717103 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -4.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -48.669208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.669208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.669208 (E_RNA) where: Base-Base interactions energy: -17.952 where: short stacking energy: -17.952 Base-Backbone interact. energy: -0.014 local terms energy: -30.703131 where: bonds (distance) C4'-P energy: -8.431 bonds (distance) P-C4' energy: -9.386 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -1.501 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: 128 Temperature: 1.350000 Total energy: -50.758472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.758472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.758472 (E_RNA) where: Base-Base interactions energy: -22.540 where: short stacking energy: -22.540 Base-Backbone interact. energy: -0.678 local terms energy: -27.539832 where: bonds (distance) C4'-P energy: -7.072 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -117.318895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.318895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.318895 (E_RNA) where: Base-Base interactions energy: -72.119 where: short stacking energy: -27.411 Base-Backbone interact. energy: -0.365 local terms energy: -44.834933 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -10.657 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -8.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -111.027925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.027925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.027925 (E_RNA) where: Base-Base interactions energy: -71.133 where: short stacking energy: -26.657 Base-Backbone interact. energy: -0.006 local terms energy: -39.888149 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -7.200 tors. eta vs tors. theta energy: -5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -109.815428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.815428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.815428 (E_RNA) where: Base-Base interactions energy: -75.332 where: short stacking energy: -31.043 Base-Backbone interact. energy: -0.001 local terms energy: -34.482293 where: bonds (distance) C4'-P energy: -8.915 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -9.545 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -1.594 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: 1 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -107.177815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.177815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.177815 (E_RNA) where: Base-Base interactions energy: -72.047 where: short stacking energy: -22.391 Base-Backbone interact. energy: -0.096 local terms energy: -35.034500 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -9.447 flat angles P-C4'-P energy: -1.607 tors. eta vs tors. theta energy: -7.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -60.647331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.647331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.647331 (E_RNA) where: Base-Base interactions energy: -29.297 where: short stacking energy: -18.518 Base-Backbone interact. energy: 0.359 local terms energy: -31.709097 where: bonds (distance) C4'-P energy: -8.803 bonds (distance) P-C4' energy: -8.760 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -58.579633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.579633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.579633 (E_RNA) where: Base-Base interactions energy: -22.751 where: short stacking energy: -18.250 Base-Backbone interact. energy: -0.002 local terms energy: -35.827091 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -10.848 flat angles P-C4'-P energy: -7.314 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -113.145982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.145982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.145982 (E_RNA) where: Base-Base interactions energy: -70.403 where: short stacking energy: -23.843 Base-Backbone interact. energy: -0.003 local terms energy: -42.740414 where: bonds (distance) C4'-P energy: -10.239 bonds (distance) P-C4' energy: -10.361 flat angles C4'-P-C4' energy: -9.537 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -7.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -54.218000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.218000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.218000 (E_RNA) where: Base-Base interactions energy: -22.630 where: short stacking energy: -10.228 Base-Backbone interact. energy: 0.178 local terms energy: -31.766204 where: bonds (distance) C4'-P energy: -9.006 bonds (distance) P-C4' energy: -8.492 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -6.426 tors. eta vs tors. theta energy: -1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -49.357417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.357417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.357417 (E_RNA) where: Base-Base interactions energy: -17.041 where: short stacking energy: -14.213 Base-Backbone interact. energy: -0.117 local terms energy: -32.198971 where: bonds (distance) C4'-P energy: -8.318 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -65.351938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.351938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.351938 (E_RNA) where: Base-Base interactions energy: -26.337 where: short stacking energy: -16.720 Base-Backbone interact. energy: -0.002 local terms energy: -39.012988 where: bonds (distance) C4'-P energy: -8.033 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -9.551 flat angles P-C4'-P energy: -2.517 tors. eta vs tors. theta energy: -8.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -117.644149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.644149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.644149 (E_RNA) where: Base-Base interactions energy: -74.592 where: short stacking energy: -30.830 Base-Backbone interact. energy: -0.672 local terms energy: -42.379609 where: bonds (distance) C4'-P energy: -8.944 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -114.186718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.186718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.186718 (E_RNA) where: Base-Base interactions energy: -73.325 where: short stacking energy: -30.493 Base-Backbone interact. energy: -0.486 local terms energy: -40.376260 where: bonds (distance) C4'-P energy: -8.119 bonds (distance) P-C4' energy: -9.637 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -7.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -117.437532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.437532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.437532 (E_RNA) where: Base-Base interactions energy: -82.210 where: short stacking energy: -32.593 Base-Backbone interact. energy: -0.491 local terms energy: -34.736976 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -9.517 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -0.373 tors. eta vs tors. theta energy: -8.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -106.766569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.766569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.766569 (E_RNA) where: Base-Base interactions energy: -65.655 where: short stacking energy: -25.992 Base-Backbone interact. energy: 0.565 local terms energy: -41.675995 where: bonds (distance) C4'-P energy: -8.774 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -68.980559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.980559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.980559 (E_RNA) where: Base-Base interactions energy: -34.023 where: short stacking energy: -26.605 Base-Backbone interact. energy: -0.003 local terms energy: -34.954751 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -10.080 flat angles P-C4'-P energy: -6.694 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -66.309484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.309484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.309484 (E_RNA) where: Base-Base interactions energy: -26.286 where: short stacking energy: -26.286 Base-Backbone interact. energy: -0.001 local terms energy: -40.022446 where: bonds (distance) C4'-P energy: -8.435 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -7.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -109.844286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.844286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.844286 (E_RNA) where: Base-Base interactions energy: -71.345 where: short stacking energy: -33.011 Base-Backbone interact. energy: -0.100 local terms energy: -38.398869 where: bonds (distance) C4'-P energy: -7.665 bonds (distance) P-C4' energy: -7.218 flat angles C4'-P-C4' energy: -9.963 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -7.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -56.886396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.886396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.886396 (E_RNA) where: Base-Base interactions energy: -21.994 where: short stacking energy: -20.301 Base-Backbone interact. energy: -0.943 local terms energy: -33.949124 where: bonds (distance) C4'-P energy: -7.411 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -71.920749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.920749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.920749 (E_RNA) where: Base-Base interactions energy: -44.785 where: short stacking energy: -18.030 Base-Backbone interact. energy: -0.021 local terms energy: -27.115341 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -10.630 flat angles C4'-P-C4' energy: -2.237 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -47.838438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.838438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.838438 (E_RNA) where: Base-Base interactions energy: -22.020 where: short stacking energy: -18.421 Base-Backbone interact. energy: -0.157 local terms energy: -25.661564 where: bonds (distance) C4'-P energy: -4.373 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: 0.746 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: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -116.480279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.480279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.480279 (E_RNA) where: Base-Base interactions energy: -74.076 where: short stacking energy: -30.466 Base-Backbone interact. energy: -0.402 local terms energy: -42.002298 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -10.184 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -8.966 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: 131 Temperature: 0.950000 Total energy: -118.381616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.381616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.381616 (E_RNA) where: Base-Base interactions energy: -78.093 where: short stacking energy: -33.775 Base-Backbone interact. energy: -0.215 local terms energy: -40.073192 where: bonds (distance) C4'-P energy: -8.513 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -9.988 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -6.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -104.390630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.390630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.390630 (E_RNA) where: Base-Base interactions energy: -73.786 where: short stacking energy: -27.699 Base-Backbone interact. energy: -0.097 local terms energy: -30.507083 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -111.310760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.310760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.310760 (E_RNA) where: Base-Base interactions energy: -79.071 where: short stacking energy: -30.331 Base-Backbone interact. energy: -0.014 local terms energy: -32.225886 where: bonds (distance) C4'-P energy: -6.410 bonds (distance) P-C4' energy: -9.471 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -65.193403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.193403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.193403 (E_RNA) where: Base-Base interactions energy: -35.985 where: short stacking energy: -23.344 Base-Backbone interact. energy: -0.179 local terms energy: -29.029589 where: bonds (distance) C4'-P energy: -5.383 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -105.187866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.187866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.187866 (E_RNA) where: Base-Base interactions energy: -64.795 where: short stacking energy: -27.624 Base-Backbone interact. energy: -0.097 local terms energy: -40.295962 where: bonds (distance) C4'-P energy: -7.388 bonds (distance) P-C4' energy: -9.475 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -9.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -57.127376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.127376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.127376 (E_RNA) where: Base-Base interactions energy: -19.172 where: short stacking energy: -12.429 Base-Backbone interact. energy: -0.006 local terms energy: -37.950087 where: bonds (distance) C4'-P energy: -9.379 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -9.175 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -2.406 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: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -93.893913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.893913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.893913 (E_RNA) where: Base-Base interactions energy: -61.621 where: short stacking energy: -24.455 Base-Backbone interact. energy: -0.023 local terms energy: -32.249670 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.795 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -5.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -50.921330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.921330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.921330 (E_RNA) where: Base-Base interactions energy: -22.348 where: short stacking energy: -20.996 Base-Backbone interact. energy: -0.002 local terms energy: -28.571813 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -8.641 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: 1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -49.249851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.249851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.249851 (E_RNA) where: Base-Base interactions energy: -17.583 where: short stacking energy: -15.302 Base-Backbone interact. energy: 2.150 local terms energy: -33.816805 where: bonds (distance) C4'-P energy: -8.782 bonds (distance) P-C4' energy: -8.831 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -2.419 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: 132 Temperature: 0.900000 Total energy: -113.396317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.396317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.396317 (E_RNA) where: Base-Base interactions energy: -70.515 where: short stacking energy: -29.099 Base-Backbone interact. energy: -0.002 local terms energy: -42.880159 where: bonds (distance) C4'-P energy: -8.616 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -9.977 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -7.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -114.087383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.087383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.087383 (E_RNA) where: Base-Base interactions energy: -73.412 where: short stacking energy: -31.934 Base-Backbone interact. energy: -0.479 local terms energy: -40.196339 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -8.649 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -9.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -115.653966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.653966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.653966 (E_RNA) where: Base-Base interactions energy: -76.935 where: short stacking energy: -32.228 Base-Backbone interact. energy: -0.041 local terms energy: -38.677791 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -108.141750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.141750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.141750 (E_RNA) where: Base-Base interactions energy: -73.111 where: short stacking energy: -28.972 Base-Backbone interact. energy: -0.020 local terms energy: -35.011069 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -9.383 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -7.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -108.610044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.610044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.610044 (E_RNA) where: Base-Base interactions energy: -72.747 where: short stacking energy: -32.304 Base-Backbone interact. energy: -1.779 local terms energy: -34.084746 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -6.954 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -7.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -62.432965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.432965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.432965 (E_RNA) where: Base-Base interactions energy: -27.853 where: short stacking energy: -27.853 Base-Backbone interact. energy: -0.022 local terms energy: -34.557700 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -6.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -109.955482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.955482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.955482 (E_RNA) where: Base-Base interactions energy: -78.224 where: short stacking energy: -31.392 Base-Backbone interact. energy: -0.000 local terms energy: -31.730983 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -1.655 tors. eta vs tors. theta energy: -9.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -58.373719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.373719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.373719 (E_RNA) where: Base-Base interactions energy: -24.343 where: short stacking energy: -19.190 Base-Backbone interact. energy: -0.007 local terms energy: -34.023720 where: bonds (distance) C4'-P energy: -6.534 bonds (distance) P-C4' energy: -9.613 flat angles C4'-P-C4' energy: -9.416 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -5.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -49.764270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.764270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.764270 (E_RNA) where: Base-Base interactions energy: -20.545 where: short stacking energy: -14.633 Base-Backbone interact. energy: -0.138 local terms energy: -29.081549 where: bonds (distance) C4'-P energy: -9.565 bonds (distance) P-C4' energy: -11.593 flat angles C4'-P-C4' energy: -9.551 flat angles P-C4'-P energy: -0.939 tors. eta vs tors. theta energy: 2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -59.812423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.812423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.812423 (E_RNA) where: Base-Base interactions energy: -26.005 where: short stacking energy: -25.860 Base-Backbone interact. energy: -0.015 local terms energy: -33.792780 where: bonds (distance) C4'-P energy: -7.181 bonds (distance) P-C4' energy: -10.155 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -0.324 tors. eta vs tors. theta energy: -7.872 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: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -114.222380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.222380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.222380 (E_RNA) where: Base-Base interactions energy: -71.235 where: short stacking energy: -31.780 Base-Backbone interact. energy: -0.099 local terms energy: -42.887931 where: bonds (distance) C4'-P energy: -8.632 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -9.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -113.894845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.894845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.894845 (E_RNA) where: Base-Base interactions energy: -75.363 where: short stacking energy: -32.567 Base-Backbone interact. energy: -0.066 local terms energy: -38.466215 where: bonds (distance) C4'-P energy: -8.124 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -9.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -111.309251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.309251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.309251 (E_RNA) where: Base-Base interactions energy: -69.070 where: short stacking energy: -32.523 Base-Backbone interact. energy: -0.812 local terms energy: -41.426390 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -5.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -113.656812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.656812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.656812 (E_RNA) where: Base-Base interactions energy: -70.880 where: short stacking energy: -29.413 Base-Backbone interact. energy: -0.773 local terms energy: -42.003478 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -8.939 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -10.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -98.272354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.272354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.272354 (E_RNA) where: Base-Base interactions energy: -63.626 where: short stacking energy: -21.190 Base-Backbone interact. energy: -0.076 local terms energy: -34.569677 where: bonds (distance) C4'-P energy: -9.515 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -104.520820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.520820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.520820 (E_RNA) where: Base-Base interactions energy: -73.751 where: short stacking energy: -29.998 Base-Backbone interact. energy: 0.821 local terms energy: -31.590976 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -54.407876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.407876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.407876 (E_RNA) where: Base-Base interactions energy: -19.410 where: short stacking energy: -19.410 Base-Backbone interact. energy: -0.000 local terms energy: -34.997787 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.267 flat angles C4'-P-C4' energy: -9.821 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -9.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -51.120756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.120756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.120756 (E_RNA) where: Base-Base interactions energy: -22.429 where: short stacking energy: -9.976 Base-Backbone interact. energy: -0.037 local terms energy: -28.655317 where: bonds (distance) C4'-P energy: -8.447 bonds (distance) P-C4' energy: -7.423 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -52.013371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.013371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.013371 (E_RNA) where: Base-Base interactions energy: -25.546 where: short stacking energy: -15.767 Base-Backbone interact. energy: -0.013 local terms energy: -26.453978 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -7.093 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -0.654 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: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -63.144216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.144216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.144216 (E_RNA) where: Base-Base interactions energy: -32.316 where: short stacking energy: -15.896 Base-Backbone interact. energy: -0.668 local terms energy: -30.160249 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -10.874 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -2.563 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: 6 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -119.079505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.079505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.079505 (E_RNA) where: Base-Base interactions energy: -71.439 where: short stacking energy: -29.199 Base-Backbone interact. energy: -0.102 local terms energy: -47.538686 where: bonds (distance) C4'-P energy: -10.277 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -10.806 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -8.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -113.271083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.271083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.271083 (E_RNA) where: Base-Base interactions energy: -73.256 where: short stacking energy: -33.252 Base-Backbone interact. energy: -0.022 local terms energy: -39.992754 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.384 flat angles C4'-P-C4' energy: -9.475 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -114.048298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.048298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.048298 (E_RNA) where: Base-Base interactions energy: -71.775 where: short stacking energy: -35.787 Base-Backbone interact. energy: -0.000 local terms energy: -42.272599 where: bonds (distance) C4'-P energy: -9.730 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -8.572 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -10.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -110.231699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.231699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.231699 (E_RNA) where: Base-Base interactions energy: -67.474 where: short stacking energy: -30.984 Base-Backbone interact. energy: -0.724 local terms energy: -42.033994 where: bonds (distance) C4'-P energy: -8.669 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -6.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -107.115928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.115928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.115928 (E_RNA) where: Base-Base interactions energy: -65.894 where: short stacking energy: -26.579 Base-Backbone interact. energy: -0.637 local terms energy: -40.585051 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -9.051 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -6.240 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: 1 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -104.749554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.749554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.749554 (E_RNA) where: Base-Base interactions energy: -64.213 where: short stacking energy: -32.192 Base-Backbone interact. energy: -0.110 local terms energy: -40.426350 where: bonds (distance) C4'-P energy: -8.807 bonds (distance) P-C4' energy: -8.213 flat angles C4'-P-C4' energy: -9.561 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -8.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -68.516786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.516786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.516786 (E_RNA) where: Base-Base interactions energy: -26.750 where: short stacking energy: -26.750 Base-Backbone interact. energy: -0.001 local terms energy: -41.766544 where: bonds (distance) C4'-P energy: -10.355 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -8.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -56.509519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.509519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.509519 (E_RNA) where: Base-Base interactions energy: -32.402 where: short stacking energy: -11.198 Base-Backbone interact. energy: -0.154 local terms energy: -23.953568 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -1.248 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -46.114726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.114726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.114726 (E_RNA) where: Base-Base interactions energy: -14.472 where: short stacking energy: -13.091 Base-Backbone interact. energy: 0.626 local terms energy: -32.268411 where: bonds (distance) C4'-P energy: -7.880 bonds (distance) P-C4' energy: -6.705 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -44.134212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.134212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.134212 (E_RNA) where: Base-Base interactions energy: -14.818 where: short stacking energy: -14.580 Base-Backbone interact. energy: -0.078 local terms energy: -29.238677 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: 0.264 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: -3.661 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: 1, replica: 6 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -116.817046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.817046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.817046 (E_RNA) where: Base-Base interactions energy: -71.175 where: short stacking energy: -30.071 Base-Backbone interact. energy: -0.950 local terms energy: -44.691412 where: bonds (distance) C4'-P energy: -9.966 bonds (distance) P-C4' energy: -9.218 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: -10.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -115.637793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.637793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.637793 (E_RNA) where: Base-Base interactions energy: -72.030 where: short stacking energy: -30.012 Base-Backbone interact. energy: 0.525 local terms energy: -44.132613 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -9.137 flat angles P-C4'-P energy: -7.056 tors. eta vs tors. theta energy: -10.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -120.313185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.313185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.313185 (E_RNA) where: Base-Base interactions energy: -77.892 where: short stacking energy: -32.459 Base-Backbone interact. energy: -0.002 local terms energy: -42.419173 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -8.558 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -9.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -112.251862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.251862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.251862 (E_RNA) where: Base-Base interactions energy: -69.052 where: short stacking energy: -36.367 Base-Backbone interact. energy: -0.715 local terms energy: -42.484860 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -9.479 flat angles P-C4'-P energy: -7.557 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: 5, replica: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -102.423493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.423493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.423493 (E_RNA) where: Base-Base interactions energy: -61.160 where: short stacking energy: -28.012 Base-Backbone interact. energy: -0.407 local terms energy: -40.856807 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -11.342 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -7.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -100.428187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.428187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.428187 (E_RNA) where: Base-Base interactions energy: -59.637 where: short stacking energy: -22.777 Base-Backbone interact. energy: -0.061 local terms energy: -40.730634 where: bonds (distance) C4'-P energy: -8.662 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -8.736 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -8.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -55.456939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.456939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.456939 (E_RNA) where: Base-Base interactions energy: -26.144 where: short stacking energy: -17.873 Base-Backbone interact. energy: -0.276 local terms energy: -29.037067 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -8.956 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: 1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -48.914443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.914443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.914443 (E_RNA) where: Base-Base interactions energy: -21.716 where: short stacking energy: -16.906 Base-Backbone interact. energy: -0.122 local terms energy: -27.075994 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.105 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -7.346 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -56.362209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.362209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.362209 (E_RNA) where: Base-Base interactions energy: -26.215 where: short stacking energy: -12.174 Base-Backbone interact. energy: -0.289 local terms energy: -29.857872 where: bonds (distance) C4'-P energy: -6.609 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -9.297 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -51.233501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.233501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.233501 (E_RNA) where: Base-Base interactions energy: -20.415 where: short stacking energy: -13.276 Base-Backbone interact. energy: -0.076 local terms energy: -30.741876 where: bonds (distance) C4'-P energy: -7.586 bonds (distance) P-C4' energy: -10.098 flat angles C4'-P-C4' energy: -8.223 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: 0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -113.152186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.152186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.152186 (E_RNA) where: Base-Base interactions energy: -70.974 where: short stacking energy: -27.709 Base-Backbone interact. energy: -0.242 local terms energy: -41.936234 where: bonds (distance) C4'-P energy: -7.570 bonds (distance) P-C4' energy: -9.517 flat angles C4'-P-C4' energy: -9.533 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: -8.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -115.149643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.149643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.149643 (E_RNA) where: Base-Base interactions energy: -72.165 where: short stacking energy: -33.146 Base-Backbone interact. energy: 0.257 local terms energy: -43.241610 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -10.084 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -6.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -112.780596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.780596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.780596 (E_RNA) where: Base-Base interactions energy: -73.948 where: short stacking energy: -33.502 Base-Backbone interact. energy: -0.099 local terms energy: -38.733578 where: bonds (distance) C4'-P energy: -9.263 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.043 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -10.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -111.085631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.085631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.085631 (E_RNA) where: Base-Base interactions energy: -71.031 where: short stacking energy: -29.507 Base-Backbone interact. energy: 0.267 local terms energy: -40.322114 where: bonds (distance) C4'-P energy: -8.513 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -8.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -117.429022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.429022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.429022 (E_RNA) where: Base-Base interactions energy: -80.738 where: short stacking energy: -31.384 Base-Backbone interact. energy: -0.003 local terms energy: -36.688471 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: 0.014 tors. eta vs tors. theta energy: -9.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -101.711249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.711249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.711249 (E_RNA) where: Base-Base interactions energy: -65.297 where: short stacking energy: -26.267 Base-Backbone interact. energy: -0.449 local terms energy: -35.964991 where: bonds (distance) C4'-P energy: -8.578 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.620 flat angles P-C4'-P energy: -6.380 tors. eta vs tors. theta energy: -4.500 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: 136 Temperature: 1.200000 Total energy: -56.910064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.910064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.910064 (E_RNA) where: Base-Base interactions energy: -24.102 where: short stacking energy: -15.431 Base-Backbone interact. energy: -0.167 local terms energy: -32.640526 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -8.058 flat angles C4'-P-C4' energy: -9.930 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -68.372714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.372714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.372714 (E_RNA) where: Base-Base interactions energy: -45.724 where: short stacking energy: -16.211 Base-Backbone interact. energy: -0.041 local terms energy: -22.607875 where: bonds (distance) C4'-P energy: -9.288 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -2.231 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -48.060686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.060686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.060686 (E_RNA) where: Base-Base interactions energy: -19.055 where: short stacking energy: -8.603 Base-Backbone interact. energy: -0.099 local terms energy: -28.906305 where: bonds (distance) C4'-P energy: -7.222 bonds (distance) P-C4' energy: -10.581 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -44.436602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.436602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.436602 (E_RNA) where: Base-Base interactions energy: -12.452 where: short stacking energy: -11.234 Base-Backbone interact. energy: 1.000 local terms energy: -32.984273 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -1.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -112.693335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.693335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.693335 (E_RNA) where: Base-Base interactions energy: -73.287 where: short stacking energy: -31.240 Base-Backbone interact. energy: -0.065 local terms energy: -39.341422 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -8.205 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -1.762 tors. eta vs tors. theta energy: -11.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -111.544452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.544452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.544452 (E_RNA) where: Base-Base interactions energy: -71.345 where: short stacking energy: -31.104 Base-Backbone interact. energy: -0.014 local terms energy: -40.184541 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -8.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -124.421875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.421875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.421875 (E_RNA) where: Base-Base interactions energy: -83.885 where: short stacking energy: -34.090 Base-Backbone interact. energy: -0.005 local terms energy: -40.531806 where: bonds (distance) C4'-P energy: -8.856 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -10.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -112.986628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.986628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.986628 (E_RNA) where: Base-Base interactions energy: -71.360 where: short stacking energy: -29.555 Base-Backbone interact. energy: -0.909 local terms energy: -40.717060 where: bonds (distance) C4'-P energy: -8.517 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -7.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -106.644955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.644955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.644955 (E_RNA) where: Base-Base interactions energy: -76.283 where: short stacking energy: -32.311 Base-Backbone interact. energy: -0.589 local terms energy: -29.772103 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -6.226 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: -9.387 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: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -98.282288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.282288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.282288 (E_RNA) where: Base-Base interactions energy: -62.509 where: short stacking energy: -24.705 Base-Backbone interact. energy: -0.098 local terms energy: -35.674915 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: -6.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -63.262191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.262191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.262191 (E_RNA) where: Base-Base interactions energy: -27.785 where: short stacking energy: -27.280 Base-Backbone interact. energy: -0.099 local terms energy: -35.377416 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -9.391 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -5.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -57.273754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.273754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.273754 (E_RNA) where: Base-Base interactions energy: -19.621 where: short stacking energy: -19.017 Base-Backbone interact. energy: -0.062 local terms energy: -37.590277 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -9.910 flat angles C4'-P-C4' energy: -8.399 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -6.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -52.717657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.717657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.717657 (E_RNA) where: Base-Base interactions energy: -18.847 where: short stacking energy: -18.847 Base-Backbone interact. energy: -0.000 local terms energy: -33.870261 where: bonds (distance) C4'-P energy: -7.188 bonds (distance) P-C4' energy: -9.907 flat angles C4'-P-C4' energy: -9.048 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -56.559879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.559879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.559879 (E_RNA) where: Base-Base interactions energy: -27.021 where: short stacking energy: -22.323 Base-Backbone interact. energy: -0.120 local terms energy: -29.419018 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -3.276 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -124.599813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.599813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.599813 (E_RNA) where: Base-Base interactions energy: -84.865 where: short stacking energy: -32.493 Base-Backbone interact. energy: -0.007 local terms energy: -39.727435 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -11.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -114.304001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.304001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.304001 (E_RNA) where: Base-Base interactions energy: -72.675 where: short stacking energy: -31.396 Base-Backbone interact. energy: -0.713 local terms energy: -40.916350 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -8.148 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: 3, replica: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -116.387227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.387227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.387227 (E_RNA) where: Base-Base interactions energy: -74.507 where: short stacking energy: -33.532 Base-Backbone interact. energy: -0.819 local terms energy: -41.061034 where: bonds (distance) C4'-P energy: -9.536 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -6.521 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: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -110.159877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.159877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.159877 (E_RNA) where: Base-Base interactions energy: -67.103 where: short stacking energy: -26.756 Base-Backbone interact. energy: -0.027 local terms energy: -43.030286 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -8.748 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -8.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -102.395821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.395821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.395821 (E_RNA) where: Base-Base interactions energy: -70.824 where: short stacking energy: -24.384 Base-Backbone interact. energy: -0.057 local terms energy: -31.515266 where: bonds (distance) C4'-P energy: -9.291 bonds (distance) P-C4' energy: -7.700 flat angles C4'-P-C4' energy: -9.781 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -103.482619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.482619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.482619 (E_RNA) where: Base-Base interactions energy: -64.459 where: short stacking energy: -23.188 Base-Backbone interact. energy: -0.001 local terms energy: -39.022586 where: bonds (distance) C4'-P energy: -7.689 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -7.971 tors. eta vs tors. theta energy: -8.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -59.039354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.039354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.039354 (E_RNA) where: Base-Base interactions energy: -26.941 where: short stacking energy: -26.941 Base-Backbone interact. energy: -0.037 local terms energy: -32.061628 where: bonds (distance) C4'-P energy: -7.101 bonds (distance) P-C4' energy: -6.154 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -1.282 tors. eta vs tors. theta energy: -9.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -54.504239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.504239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.504239 (E_RNA) where: Base-Base interactions energy: -23.399 where: short stacking energy: -22.163 Base-Backbone interact. energy: -0.207 local terms energy: -30.897683 where: bonds (distance) C4'-P energy: -6.807 bonds (distance) P-C4' energy: -8.960 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -56.274167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.274167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.274167 (E_RNA) where: Base-Base interactions energy: -23.529 where: short stacking energy: -19.362 Base-Backbone interact. energy: -0.119 local terms energy: -32.626085 where: bonds (distance) C4'-P energy: -9.957 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -55.266106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.266106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.266106 (E_RNA) where: Base-Base interactions energy: -20.438 where: short stacking energy: -20.438 Base-Backbone interact. energy: -0.069 local terms energy: -34.758485 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.793 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -126.872894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.872894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.872894 (E_RNA) where: Base-Base interactions energy: -87.997 where: short stacking energy: -32.188 Base-Backbone interact. energy: -0.025 local terms energy: -38.850902 where: bonds (distance) C4'-P energy: -10.069 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -10.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -115.060029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.060029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.060029 (E_RNA) where: Base-Base interactions energy: -72.552 where: short stacking energy: -33.149 Base-Backbone interact. energy: -0.664 local terms energy: -41.844354 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -7.095 tors. eta vs tors. theta energy: -11.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -112.853466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.853466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.853466 (E_RNA) where: Base-Base interactions energy: -76.363 where: short stacking energy: -32.158 Base-Backbone interact. energy: -1.041 local terms energy: -35.449265 where: bonds (distance) C4'-P energy: -6.733 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -8.028 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -108.082205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.082205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.082205 (E_RNA) where: Base-Base interactions energy: -67.944 where: short stacking energy: -28.844 Base-Backbone interact. energy: -0.104 local terms energy: -40.033980 where: bonds (distance) C4'-P energy: -10.135 bonds (distance) P-C4' energy: -9.904 flat angles C4'-P-C4' energy: -8.988 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -6.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -99.419196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.419196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.419196 (E_RNA) where: Base-Base interactions energy: -67.052 where: short stacking energy: -28.805 Base-Backbone interact. energy: -0.334 local terms energy: -32.033139 where: bonds (distance) C4'-P energy: -7.880 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -110.659556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.659556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.659556 (E_RNA) where: Base-Base interactions energy: -69.334 where: short stacking energy: -30.142 Base-Backbone interact. energy: -0.076 local terms energy: -41.250207 where: bonds (distance) C4'-P energy: -8.347 bonds (distance) P-C4' energy: -8.241 flat angles C4'-P-C4' energy: -10.077 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -9.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -54.887898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.887898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.887898 (E_RNA) where: Base-Base interactions energy: -23.258 where: short stacking energy: -23.258 Base-Backbone interact. energy: -0.028 local terms energy: -31.601184 where: bonds (distance) C4'-P energy: -6.973 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -61.401968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.401968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.401968 (E_RNA) where: Base-Base interactions energy: -25.555 where: short stacking energy: -23.782 Base-Backbone interact. energy: -0.073 local terms energy: -35.773214 where: bonds (distance) C4'-P energy: -8.604 bonds (distance) P-C4' energy: -10.439 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -57.229361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.229361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.229361 (E_RNA) where: Base-Base interactions energy: -27.280 where: short stacking energy: -24.567 Base-Backbone interact. energy: -0.003 local terms energy: -29.946188 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -8.114 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -5.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -60.202287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.202287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.202287 (E_RNA) where: Base-Base interactions energy: -25.468 where: short stacking energy: -15.345 Base-Backbone interact. energy: -1.034 local terms energy: -33.700600 where: bonds (distance) C4'-P energy: -7.834 bonds (distance) P-C4' energy: -8.992 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -8.214 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -122.145246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.145246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.145246 (E_RNA) where: Base-Base interactions energy: -82.364 where: short stacking energy: -33.712 Base-Backbone interact. energy: -0.000 local terms energy: -39.781253 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -10.215 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -122.963210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.963210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.963210 (E_RNA) where: Base-Base interactions energy: -83.381 where: short stacking energy: -33.889 Base-Backbone interact. energy: -0.512 local terms energy: -39.070501 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -106.206032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.206032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.206032 (E_RNA) where: Base-Base interactions energy: -73.283 where: short stacking energy: -23.592 Base-Backbone interact. energy: -0.000 local terms energy: -32.923096 where: bonds (distance) C4'-P energy: -7.342 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -9.940 flat angles P-C4'-P energy: -0.641 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -112.131148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.131148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.131148 (E_RNA) where: Base-Base interactions energy: -72.572 where: short stacking energy: -31.741 Base-Backbone interact. energy: -0.016 local terms energy: -39.543445 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -9.944 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -109.357643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.357643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.357643 (E_RNA) where: Base-Base interactions energy: -68.882 where: short stacking energy: -31.378 Base-Backbone interact. energy: -1.059 local terms energy: -39.416652 where: bonds (distance) C4'-P energy: -7.072 bonds (distance) P-C4' energy: -8.988 flat angles C4'-P-C4' energy: -8.329 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -8.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -103.133441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.133441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.133441 (E_RNA) where: Base-Base interactions energy: -70.398 where: short stacking energy: -28.693 Base-Backbone interact. energy: -0.042 local terms energy: -32.693135 where: bonds (distance) C4'-P energy: -8.724 bonds (distance) P-C4' energy: -8.558 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -65.541554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.541554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.541554 (E_RNA) where: Base-Base interactions energy: -27.329 where: short stacking energy: -20.179 Base-Backbone interact. energy: -0.014 local terms energy: -38.197608 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -5.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -48.524127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.524127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.524127 (E_RNA) where: Base-Base interactions energy: -19.907 where: short stacking energy: -19.907 Base-Backbone interact. energy: -0.000 local terms energy: -28.616834 where: bonds (distance) C4'-P energy: -7.876 bonds (distance) P-C4' energy: -10.404 flat angles C4'-P-C4' energy: -8.416 flat angles P-C4'-P energy: 1.354 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -50.882441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.882441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.882441 (E_RNA) where: Base-Base interactions energy: -19.465 where: short stacking energy: -9.026 Base-Backbone interact. energy: -0.522 local terms energy: -30.895535 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -9.911 flat angles C4'-P-C4' energy: -2.947 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -47.905657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.905657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.905657 (E_RNA) where: Base-Base interactions energy: -17.523 where: short stacking energy: -17.523 Base-Backbone interact. energy: -0.098 local terms energy: -30.284719 where: bonds (distance) C4'-P energy: -7.420 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -0.737 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -120.249377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.249377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.249377 (E_RNA) where: Base-Base interactions energy: -84.266 where: short stacking energy: -32.981 Base-Backbone interact. energy: -0.922 local terms energy: -35.061476 where: bonds (distance) C4'-P energy: -8.640 bonds (distance) P-C4' energy: -9.049 flat angles C4'-P-C4' energy: -8.970 flat angles P-C4'-P energy: -2.514 tors. eta vs tors. theta energy: -5.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -122.300882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.300882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.300882 (E_RNA) where: Base-Base interactions energy: -83.745 where: short stacking energy: -33.461 Base-Backbone interact. energy: -0.003 local terms energy: -38.553208 where: bonds (distance) C4'-P energy: -6.894 bonds (distance) P-C4' energy: -9.513 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -7.922 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: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -113.099097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.099097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.099097 (E_RNA) where: Base-Base interactions energy: -74.387 where: short stacking energy: -32.650 Base-Backbone interact. energy: -0.021 local terms energy: -38.691105 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -6.514 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -9.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -110.444375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.444375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.444375 (E_RNA) where: Base-Base interactions energy: -68.996 where: short stacking energy: -25.601 Base-Backbone interact. energy: -0.590 local terms energy: -40.858443 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -9.846 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: -6.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -103.731761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.731761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.731761 (E_RNA) where: Base-Base interactions energy: -64.330 where: short stacking energy: -27.768 Base-Backbone interact. energy: -0.110 local terms energy: -39.291623 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -9.883 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -104.120878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.120878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.120878 (E_RNA) where: Base-Base interactions energy: -68.810 where: short stacking energy: -27.803 Base-Backbone interact. energy: -0.226 local terms energy: -35.084643 where: bonds (distance) C4'-P energy: -7.222 bonds (distance) P-C4' energy: -11.099 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -1.205 tors. eta vs tors. theta energy: -9.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -55.003344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.003344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.003344 (E_RNA) where: Base-Base interactions energy: -26.956 where: short stacking energy: -26.956 Base-Backbone interact. energy: -0.041 local terms energy: -28.006807 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.502 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -4.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -51.413516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.413516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.413516 (E_RNA) where: Base-Base interactions energy: -26.985 where: short stacking energy: -14.382 Base-Backbone interact. energy: -0.267 local terms energy: -24.160799 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -3.964 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: 1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -54.741780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.741780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.741780 (E_RNA) where: Base-Base interactions energy: -20.563 where: short stacking energy: -20.563 Base-Backbone interact. energy: -0.015 local terms energy: -34.163370 where: bonds (distance) C4'-P energy: -8.616 bonds (distance) P-C4' energy: -9.020 flat angles C4'-P-C4' energy: -8.521 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -58.394455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.394455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.394455 (E_RNA) where: Base-Base interactions energy: -26.453 where: short stacking energy: -11.842 Base-Backbone interact. energy: -0.033 local terms energy: -31.908303 where: bonds (distance) C4'-P energy: -5.938 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -120.424581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.424581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.424581 (E_RNA) where: Base-Base interactions energy: -74.484 where: short stacking energy: -32.631 Base-Backbone interact. energy: -0.848 local terms energy: -45.092879 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -9.913 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -9.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -110.090291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.090291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.090291 (E_RNA) where: Base-Base interactions energy: -69.702 where: short stacking energy: -28.259 Base-Backbone interact. energy: -0.088 local terms energy: -40.300930 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -8.343 flat angles C4'-P-C4' energy: -8.897 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -110.144639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.144639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.144639 (E_RNA) where: Base-Base interactions energy: -75.665 where: short stacking energy: -28.958 Base-Backbone interact. energy: -0.359 local terms energy: -34.120735 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -8.394 flat angles C4'-P-C4' energy: -9.725 flat angles P-C4'-P energy: -0.382 tors. eta vs tors. theta energy: -8.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -114.410829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.410829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.410829 (E_RNA) where: Base-Base interactions energy: -70.451 where: short stacking energy: -31.041 Base-Backbone interact. energy: -0.089 local terms energy: -43.869989 where: bonds (distance) C4'-P energy: -8.562 bonds (distance) P-C4' energy: -10.230 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -9.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -103.667107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.667107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.667107 (E_RNA) where: Base-Base interactions energy: -61.965 where: short stacking energy: -25.276 Base-Backbone interact. energy: -0.014 local terms energy: -41.687599 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -104.788249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.788249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.788249 (E_RNA) where: Base-Base interactions energy: -64.009 where: short stacking energy: -28.286 Base-Backbone interact. energy: -0.009 local terms energy: -40.770382 where: bonds (distance) C4'-P energy: -7.573 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -10.032 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -53.388468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.388468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.388468 (E_RNA) where: Base-Base interactions energy: -21.002 where: short stacking energy: -17.671 Base-Backbone interact. energy: -0.042 local terms energy: -32.344364 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -7.420 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -4.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -52.682512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.682512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.682512 (E_RNA) where: Base-Base interactions energy: -20.751 where: short stacking energy: -18.237 Base-Backbone interact. energy: -2.111 local terms energy: -29.819940 where: bonds (distance) C4'-P energy: -8.640 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -9.386 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -0.705 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: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -52.567561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.567561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.567561 (E_RNA) where: Base-Base interactions energy: -26.093 where: short stacking energy: -14.183 Base-Backbone interact. energy: -0.864 local terms energy: -25.610547 where: bonds (distance) C4'-P energy: -9.394 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: 1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -51.720387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.720387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.720387 (E_RNA) where: Base-Base interactions energy: -12.143 where: short stacking energy: -12.143 Base-Backbone interact. energy: -0.008 local terms energy: -39.569159 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -8.598 flat angles C4'-P-C4' energy: -10.708 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -3.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -118.420509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.420509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.420509 (E_RNA) where: Base-Base interactions energy: -73.556 where: short stacking energy: -33.961 Base-Backbone interact. energy: -0.867 local terms energy: -43.998306 where: bonds (distance) C4'-P energy: -5.639 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -10.773 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -8.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -113.769110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.769110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.769110 (E_RNA) where: Base-Base interactions energy: -80.858 where: short stacking energy: -33.077 Base-Backbone interact. energy: -0.008 local terms energy: -32.903020 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -113.564602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.564602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.564602 (E_RNA) where: Base-Base interactions energy: -73.222 where: short stacking energy: -29.315 Base-Backbone interact. energy: -0.002 local terms energy: -40.340523 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -7.026 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: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -110.127874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.127874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.127874 (E_RNA) where: Base-Base interactions energy: -71.859 where: short stacking energy: -26.236 Base-Backbone interact. energy: -0.015 local terms energy: -38.253441 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -9.969 flat angles C4'-P-C4' energy: -8.401 flat angles P-C4'-P energy: -1.878 tors. eta vs tors. theta energy: -8.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -109.967058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.967058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.967058 (E_RNA) where: Base-Base interactions energy: -66.969 where: short stacking energy: -25.225 Base-Backbone interact. energy: -0.001 local terms energy: -42.997356 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -10.067 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -10.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -106.415124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.415124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.415124 (E_RNA) where: Base-Base interactions energy: -70.709 where: short stacking energy: -31.228 Base-Backbone interact. energy: -0.008 local terms energy: -35.697680 where: bonds (distance) C4'-P energy: -5.184 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -7.130 tors. eta vs tors. theta energy: -9.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -56.128581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.128581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.128581 (E_RNA) where: Base-Base interactions energy: -21.947 where: short stacking energy: -21.651 Base-Backbone interact. energy: -0.005 local terms energy: -34.176417 where: bonds (distance) C4'-P energy: -8.756 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -57.971040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.971040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.971040 (E_RNA) where: Base-Base interactions energy: -25.788 where: short stacking energy: -16.723 Base-Backbone interact. energy: -0.113 local terms energy: -32.070720 where: bonds (distance) C4'-P energy: -7.101 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -3.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -48.478818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.478818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.478818 (E_RNA) where: Base-Base interactions energy: -17.751 where: short stacking energy: -15.158 Base-Backbone interact. energy: 0.503 local terms energy: -31.230728 where: bonds (distance) C4'-P energy: -7.081 bonds (distance) P-C4' energy: -9.612 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -56.695737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.695737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.695737 (E_RNA) where: Base-Base interactions energy: -24.042 where: short stacking energy: -24.042 Base-Backbone interact. energy: -0.000 local terms energy: -32.653621 where: bonds (distance) C4'-P energy: -6.474 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -122.260796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.260796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.260796 (E_RNA) where: Base-Base interactions energy: -78.837 where: short stacking energy: -35.810 Base-Backbone interact. energy: -0.001 local terms energy: -43.422873 where: bonds (distance) C4'-P energy: -9.025 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -9.698 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -12.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -110.025261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.025261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.025261 (E_RNA) where: Base-Base interactions energy: -72.392 where: short stacking energy: -35.123 Base-Backbone interact. energy: -0.007 local terms energy: -37.626419 where: bonds (distance) C4'-P energy: -8.914 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -7.420 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: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -107.919606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.919606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.919606 (E_RNA) where: Base-Base interactions energy: -76.128 where: short stacking energy: -27.647 Base-Backbone interact. energy: -0.329 local terms energy: -31.462250 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -8.110 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -0.744 tors. eta vs tors. theta energy: -5.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -109.175603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.175603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.175603 (E_RNA) where: Base-Base interactions energy: -72.334 where: short stacking energy: -30.961 Base-Backbone interact. energy: -0.468 local terms energy: -36.373560 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -9.090 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -6.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -108.704000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.704000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.704000 (E_RNA) where: Base-Base interactions energy: -76.911 where: short stacking energy: -28.238 Base-Backbone interact. energy: -0.328 local terms energy: -31.465500 where: bonds (distance) C4'-P energy: -7.710 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -7.602 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: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -107.903080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.903080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.903080 (E_RNA) where: Base-Base interactions energy: -65.345 where: short stacking energy: -32.501 Base-Backbone interact. energy: 0.178 local terms energy: -42.736600 where: bonds (distance) C4'-P energy: -8.020 bonds (distance) P-C4' energy: -9.895 flat angles C4'-P-C4' energy: -9.338 flat angles P-C4'-P energy: -8.018 tors. eta vs tors. theta energy: -7.466 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: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -60.582903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.582903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.582903 (E_RNA) where: Base-Base interactions energy: -25.655 where: short stacking energy: -25.655 Base-Backbone interact. energy: -0.001 local terms energy: -34.926766 where: bonds (distance) C4'-P energy: -2.902 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -50.688343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.688343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.688343 (E_RNA) where: Base-Base interactions energy: -19.361 where: short stacking energy: -8.842 Base-Backbone interact. energy: -0.010 local terms energy: -31.316983 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -5.633 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -55.500251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.500251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.500251 (E_RNA) where: Base-Base interactions energy: -28.515 where: short stacking energy: -15.123 Base-Backbone interact. energy: 4.177 local terms energy: -31.161930 where: bonds (distance) C4'-P energy: -7.789 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -6.300 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: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -47.421360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.421360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.421360 (E_RNA) where: Base-Base interactions energy: -17.076 where: short stacking energy: -15.926 Base-Backbone interact. energy: -0.042 local terms energy: -30.303106 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: 1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -114.868909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.868909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.868909 (E_RNA) where: Base-Base interactions energy: -78.219 where: short stacking energy: -33.879 Base-Backbone interact. energy: -0.043 local terms energy: -36.606512 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -113.427192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.427192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.427192 (E_RNA) where: Base-Base interactions energy: -73.703 where: short stacking energy: -27.365 Base-Backbone interact. energy: -0.096 local terms energy: -39.628500 where: bonds (distance) C4'-P energy: -9.164 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -110.847614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.847614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.847614 (E_RNA) where: Base-Base interactions energy: -78.053 where: short stacking energy: -22.708 Base-Backbone interact. energy: -0.006 local terms energy: -32.788392 where: bonds (distance) C4'-P energy: -9.671 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -1.109 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -7.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -109.138406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.138406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.138406 (E_RNA) where: Base-Base interactions energy: -72.510 where: short stacking energy: -26.613 Base-Backbone interact. energy: 0.702 local terms energy: -37.330646 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -8.628 flat angles C4'-P-C4' energy: -10.425 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -7.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -115.632007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.632007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.632007 (E_RNA) where: Base-Base interactions energy: -79.510 where: short stacking energy: -30.519 Base-Backbone interact. energy: -0.041 local terms energy: -36.081074 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -8.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -100.427274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.427274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.427274 (E_RNA) where: Base-Base interactions energy: -66.321 where: short stacking energy: -29.431 Base-Backbone interact. energy: -0.067 local terms energy: -34.039347 where: bonds (distance) C4'-P energy: -6.803 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -59.096923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.096923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.096923 (E_RNA) where: Base-Base interactions energy: -22.346 where: short stacking energy: -22.346 Base-Backbone interact. energy: -0.001 local terms energy: -36.750169 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -6.660 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: -8.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -49.195217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.195217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.195217 (E_RNA) where: Base-Base interactions energy: -16.798 where: short stacking energy: -14.281 Base-Backbone interact. energy: -1.018 local terms energy: -31.379031 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -49.415257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.415257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.415257 (E_RNA) where: Base-Base interactions energy: -18.496 where: short stacking energy: -15.346 Base-Backbone interact. energy: -0.026 local terms energy: -30.893198 where: bonds (distance) C4'-P energy: -8.330 bonds (distance) P-C4' energy: -8.419 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -1.258 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: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -49.026115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.026115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.026115 (E_RNA) where: Base-Base interactions energy: -28.973 where: short stacking energy: -25.214 Base-Backbone interact. energy: -1.128 local terms energy: -18.925092 where: bonds (distance) C4'-P energy: -7.847 bonds (distance) P-C4' energy: -1.778 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -0.619 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -114.522132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.522132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.522132 (E_RNA) where: Base-Base interactions energy: -76.603 where: short stacking energy: -30.774 Base-Backbone interact. energy: -0.508 local terms energy: -37.410746 where: bonds (distance) C4'-P energy: -8.500 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -6.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -115.511618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.511618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.511618 (E_RNA) where: Base-Base interactions energy: -75.139 where: short stacking energy: -29.912 Base-Backbone interact. energy: -1.022 local terms energy: -39.350390 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -8.611 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -110.448168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.448168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.448168 (E_RNA) where: Base-Base interactions energy: -70.699 where: short stacking energy: -24.528 Base-Backbone interact. energy: -0.085 local terms energy: -39.664610 where: bonds (distance) C4'-P energy: -7.739 bonds (distance) P-C4' energy: -10.236 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -10.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -113.847354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.847354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.847354 (E_RNA) where: Base-Base interactions energy: -77.733 where: short stacking energy: -29.879 Base-Backbone interact. energy: -0.007 local terms energy: -36.106921 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -10.230 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: -7.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -111.949939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.949939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.949939 (E_RNA) where: Base-Base interactions energy: -74.782 where: short stacking energy: -26.633 Base-Backbone interact. energy: -0.013 local terms energy: -37.155857 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -8.980 flat angles P-C4'-P energy: -1.368 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -103.168046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.168046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.168046 (E_RNA) where: Base-Base interactions energy: -68.040 where: short stacking energy: -24.176 Base-Backbone interact. energy: -0.115 local terms energy: -35.012804 where: bonds (distance) C4'-P energy: -6.050 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -10.026 flat angles P-C4'-P energy: -1.372 tors. eta vs tors. theta energy: -8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -64.240654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.240654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.240654 (E_RNA) where: Base-Base interactions energy: -29.583 where: short stacking energy: -23.121 Base-Backbone interact. energy: -0.008 local terms energy: -34.649640 where: bonds (distance) C4'-P energy: -8.872 bonds (distance) P-C4' energy: -8.558 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -5.753 tors. eta vs tors. theta energy: -6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -55.237854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.237854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.237854 (E_RNA) where: Base-Base interactions energy: -27.270 where: short stacking energy: -25.297 Base-Backbone interact. energy: -0.008 local terms energy: -27.959941 where: bonds (distance) C4'-P energy: -7.640 bonds (distance) P-C4' energy: -9.987 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: 1.775 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -54.169011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.169011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.169011 (E_RNA) where: Base-Base interactions energy: -22.157 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.093 local terms energy: -31.919433 where: bonds (distance) C4'-P energy: -8.596 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -46.086515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.086515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.086515 (E_RNA) where: Base-Base interactions energy: -11.295 where: short stacking energy: -11.295 Base-Backbone interact. energy: -0.023 local terms energy: -34.768254 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -9.833 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -124.723136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.723136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.723136 (E_RNA) where: Base-Base interactions energy: -83.020 where: short stacking energy: -30.327 Base-Backbone interact. energy: -0.017 local terms energy: -41.686104 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -9.969 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -11.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -114.102136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.102136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.102136 (E_RNA) where: Base-Base interactions energy: -74.068 where: short stacking energy: -31.829 Base-Backbone interact. energy: -0.156 local terms energy: -39.877553 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -8.649 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -9.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -113.792456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.792456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.792456 (E_RNA) where: Base-Base interactions energy: -82.940 where: short stacking energy: -30.863 Base-Backbone interact. energy: -0.007 local terms energy: -30.845521 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -9.391 flat angles P-C4'-P energy: -1.438 tors. eta vs tors. theta energy: -6.168 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: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -105.293742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.293742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.293742 (E_RNA) where: Base-Base interactions energy: -69.398 where: short stacking energy: -28.985 Base-Backbone interact. energy: -0.408 local terms energy: -35.487911 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -6.335 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -9.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -102.876272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.876272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.876272 (E_RNA) where: Base-Base interactions energy: -66.298 where: short stacking energy: -28.351 Base-Backbone interact. energy: -0.001 local terms energy: -36.577375 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -7.395 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -8.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -72.423619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.423619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.423619 (E_RNA) where: Base-Base interactions energy: -35.268 where: short stacking energy: -16.297 Base-Backbone interact. energy: -0.004 local terms energy: -37.151474 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -10.591 flat angles C4'-P-C4' energy: -9.017 flat angles P-C4'-P energy: -2.552 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -109.481487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.481487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.481487 (E_RNA) where: Base-Base interactions energy: -81.319 where: short stacking energy: -29.261 Base-Backbone interact. energy: -0.222 local terms energy: -27.940748 where: bonds (distance) C4'-P energy: -4.602 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -3.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -54.919058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.919058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.919058 (E_RNA) where: Base-Base interactions energy: -16.000 where: short stacking energy: -16.000 Base-Backbone interact. energy: -0.124 local terms energy: -38.794301 where: bonds (distance) C4'-P energy: -8.740 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -9.631 flat angles P-C4'-P energy: -7.912 tors. eta vs tors. theta energy: -2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -47.430884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.430884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.430884 (E_RNA) where: Base-Base interactions energy: -15.646 where: short stacking energy: -15.026 Base-Backbone interact. energy: -0.086 local terms energy: -31.699629 where: bonds (distance) C4'-P energy: -5.880 bonds (distance) P-C4' energy: -10.588 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -52.414583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.414583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.414583 (E_RNA) where: Base-Base interactions energy: -27.446 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.064 local terms energy: -24.904060 where: bonds (distance) C4'-P energy: -8.028 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -1.111 tors. eta vs tors. theta energy: 2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -115.906459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.906459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.906459 (E_RNA) where: Base-Base interactions energy: -73.563 where: short stacking energy: -37.206 Base-Backbone interact. energy: -0.968 local terms energy: -41.375656 where: bonds (distance) C4'-P energy: -5.416 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -9.565 flat angles P-C4'-P energy: -7.312 tors. eta vs tors. theta energy: -7.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -121.616513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.616513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.616513 (E_RNA) where: Base-Base interactions energy: -79.889 where: short stacking energy: -32.096 Base-Backbone interact. energy: -0.001 local terms energy: -41.726299 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -9.637 flat angles C4'-P-C4' energy: -9.623 flat angles P-C4'-P energy: -2.925 tors. eta vs tors. theta energy: -11.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -111.186075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.186075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.186075 (E_RNA) where: Base-Base interactions energy: -70.915 where: short stacking energy: -31.935 Base-Backbone interact. energy: -1.208 local terms energy: -39.062493 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -10.200 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -8.410 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: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -111.829549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.829549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.829549 (E_RNA) where: Base-Base interactions energy: -74.919 where: short stacking energy: -36.186 Base-Backbone interact. energy: -0.018 local terms energy: -36.892250 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -7.420 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -103.791618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.791618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.791618 (E_RNA) where: Base-Base interactions energy: -66.170 where: short stacking energy: -30.118 Base-Backbone interact. energy: -0.036 local terms energy: -37.585715 where: bonds (distance) C4'-P energy: -10.011 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -8.986 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -65.668022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.668022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.668022 (E_RNA) where: Base-Base interactions energy: -28.072 where: short stacking energy: -28.072 Base-Backbone interact. energy: -0.000 local terms energy: -37.595787 where: bonds (distance) C4'-P energy: -7.391 bonds (distance) P-C4' energy: -7.822 flat angles C4'-P-C4' energy: -9.351 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -6.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -111.154706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.154706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.154706 (E_RNA) where: Base-Base interactions energy: -75.273 where: short stacking energy: -29.296 Base-Backbone interact. energy: -0.035 local terms energy: -35.847601 where: bonds (distance) C4'-P energy: -8.170 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.981 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -58.424030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.424030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.424030 (E_RNA) where: Base-Base interactions energy: -29.401 where: short stacking energy: -18.021 Base-Backbone interact. energy: 0.355 local terms energy: -29.377040 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: 0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -56.640955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.640955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.640955 (E_RNA) where: Base-Base interactions energy: -24.885 where: short stacking energy: -11.764 Base-Backbone interact. energy: 0.045 local terms energy: -31.800905 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -10.394 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -1.218 tors. eta vs tors. theta energy: -2.863 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: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -51.549781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.549781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.549781 (E_RNA) where: Base-Base interactions energy: -17.918 where: short stacking energy: -11.784 Base-Backbone interact. energy: 0.216 local terms energy: -33.847722 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -9.230 flat angles C4'-P-C4' energy: -9.466 flat angles P-C4'-P energy: -6.697 tors. eta vs tors. theta energy: 1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -125.831363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.831363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.831363 (E_RNA) where: Base-Base interactions energy: -83.184 where: short stacking energy: -33.250 Base-Backbone interact. energy: -0.001 local terms energy: -42.646412 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -10.598 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -10.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -116.101463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.101463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.101463 (E_RNA) where: Base-Base interactions energy: -76.886 where: short stacking energy: -26.450 Base-Backbone interact. energy: 0.452 local terms energy: -39.666644 where: bonds (distance) C4'-P energy: -8.724 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -6.784 tors. eta vs tors. theta energy: -8.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -115.956485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.956485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.956485 (E_RNA) where: Base-Base interactions energy: -77.582 where: short stacking energy: -32.356 Base-Backbone interact. energy: -0.063 local terms energy: -38.311029 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -9.141 flat angles P-C4'-P energy: -6.635 tors. eta vs tors. theta energy: -6.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -117.165872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.165872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.165872 (E_RNA) where: Base-Base interactions energy: -78.261 where: short stacking energy: -31.301 Base-Backbone interact. energy: -0.012 local terms energy: -38.892797 where: bonds (distance) C4'-P energy: -8.058 bonds (distance) P-C4' energy: -9.901 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -7.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -109.422245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.422245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.422245 (E_RNA) where: Base-Base interactions energy: -72.532 where: short stacking energy: -27.303 Base-Backbone interact. energy: -0.002 local terms energy: -36.888681 where: bonds (distance) C4'-P energy: -8.244 bonds (distance) P-C4' energy: -8.442 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -9.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -67.669583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.669583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.669583 (E_RNA) where: Base-Base interactions energy: -32.194 where: short stacking energy: -23.957 Base-Backbone interact. energy: 0.148 local terms energy: -35.623207 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -8.234 flat angles C4'-P-C4' energy: -9.857 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -54.718443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.718443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.718443 (E_RNA) where: Base-Base interactions energy: -21.757 where: short stacking energy: -21.757 Base-Backbone interact. energy: -0.048 local terms energy: -32.913462 where: bonds (distance) C4'-P energy: -5.946 bonds (distance) P-C4' energy: -10.226 flat angles C4'-P-C4' energy: -9.186 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -0.313 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: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -62.737605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.737605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.737605 (E_RNA) where: Base-Base interactions energy: -26.035 where: short stacking energy: -17.458 Base-Backbone interact. energy: -0.174 local terms energy: -36.527805 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -50.949432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.949432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.949432 (E_RNA) where: Base-Base interactions energy: -19.760 where: short stacking energy: -18.147 Base-Backbone interact. energy: -0.088 local terms energy: -31.100991 where: bonds (distance) C4'-P energy: -9.050 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -47.095778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.095778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.095778 (E_RNA) where: Base-Base interactions energy: -13.863 where: short stacking energy: -9.855 Base-Backbone interact. energy: -0.026 local terms energy: -33.207142 where: bonds (distance) C4'-P energy: -5.983 bonds (distance) P-C4' energy: -9.411 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -117.480702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.480702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.480702 (E_RNA) where: Base-Base interactions energy: -76.940 where: short stacking energy: -30.650 Base-Backbone interact. energy: -0.062 local terms energy: -40.479182 where: bonds (distance) C4'-P energy: -8.400 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -7.172 tors. eta vs tors. theta energy: -7.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -121.374983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.374983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.374983 (E_RNA) where: Base-Base interactions energy: -83.076 where: short stacking energy: -32.512 Base-Backbone interact. energy: -0.016 local terms energy: -38.282526 where: bonds (distance) C4'-P energy: -8.216 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -10.393 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: 3, replica: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -115.108633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.108633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.108633 (E_RNA) where: Base-Base interactions energy: -76.248 where: short stacking energy: -31.166 Base-Backbone interact. energy: -0.008 local terms energy: -38.852477 where: bonds (distance) C4'-P energy: -8.149 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -9.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -107.207818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.207818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.207818 (E_RNA) where: Base-Base interactions energy: -70.849 where: short stacking energy: -37.422 Base-Backbone interact. energy: -0.001 local terms energy: -36.358152 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -6.496 tors. eta vs tors. theta energy: -8.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -103.648707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.648707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.648707 (E_RNA) where: Base-Base interactions energy: -73.914 where: short stacking energy: -25.184 Base-Backbone interact. energy: -0.005 local terms energy: -29.729052 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -8.632 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -65.406604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.406604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.406604 (E_RNA) where: Base-Base interactions energy: -28.371 where: short stacking energy: -23.535 Base-Backbone interact. energy: -0.021 local terms energy: -37.014901 where: bonds (distance) C4'-P energy: -8.447 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -57.761834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.761834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.761834 (E_RNA) where: Base-Base interactions energy: -20.119 where: short stacking energy: -19.268 Base-Backbone interact. energy: -0.003 local terms energy: -37.639155 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -4.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -60.964885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.964885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.964885 (E_RNA) where: Base-Base interactions energy: -28.044 where: short stacking energy: -25.079 Base-Backbone interact. energy: -0.005 local terms energy: -32.916145 where: bonds (distance) C4'-P energy: -5.946 bonds (distance) P-C4' energy: -8.727 flat angles C4'-P-C4' energy: -8.904 flat angles P-C4'-P energy: -4.932 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: 9, replica: 4 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -52.436717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.436717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.436717 (E_RNA) where: Base-Base interactions energy: -18.793 where: short stacking energy: -11.111 Base-Backbone interact. energy: -0.121 local terms energy: -33.522760 where: bonds (distance) C4'-P energy: -8.944 bonds (distance) P-C4' energy: -8.234 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -57.597815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.597815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.597815 (E_RNA) where: Base-Base interactions energy: -16.162 where: short stacking energy: -16.162 Base-Backbone interact. energy: -0.036 local terms energy: -41.399610 where: bonds (distance) C4'-P energy: -8.894 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -10.603 flat angles P-C4'-P energy: -7.677 tors. eta vs tors. theta energy: -6.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -113.330565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.330565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.330565 (E_RNA) where: Base-Base interactions energy: -74.166 where: short stacking energy: -34.697 Base-Backbone interact. energy: -0.104 local terms energy: -39.059991 where: bonds (distance) C4'-P energy: -8.684 bonds (distance) P-C4' energy: -9.383 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -7.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -114.978990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.978990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.978990 (E_RNA) where: Base-Base interactions energy: -78.903 where: short stacking energy: -32.090 Base-Backbone interact. energy: -0.625 local terms energy: -35.451015 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -0.855 tors. eta vs tors. theta energy: -8.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -113.345972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.345972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.345972 (E_RNA) where: Base-Base interactions energy: -77.857 where: short stacking energy: -26.848 Base-Backbone interact. energy: -0.027 local terms energy: -35.461582 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -6.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -110.764903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.764903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.764903 (E_RNA) where: Base-Base interactions energy: -69.507 where: short stacking energy: -30.474 Base-Backbone interact. energy: -0.805 local terms energy: -40.452212 where: bonds (distance) C4'-P energy: -6.869 bonds (distance) P-C4' energy: -8.491 flat angles C4'-P-C4' energy: -9.141 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -9.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -104.917809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.917809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.917809 (E_RNA) where: Base-Base interactions energy: -71.882 where: short stacking energy: -27.855 Base-Backbone interact. energy: -0.015 local terms energy: -33.021623 where: bonds (distance) C4'-P energy: -8.160 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -2.712 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -68.290522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.290522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.290522 (E_RNA) where: Base-Base interactions energy: -28.604 where: short stacking energy: -18.856 Base-Backbone interact. energy: 0.258 local terms energy: -39.944307 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -9.400 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -62.537874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.537874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.537874 (E_RNA) where: Base-Base interactions energy: -29.340 where: short stacking energy: -25.079 Base-Backbone interact. energy: -0.150 local terms energy: -33.047702 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -52.781134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.781134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.781134 (E_RNA) where: Base-Base interactions energy: -21.388 where: short stacking energy: -17.139 Base-Backbone interact. energy: -0.032 local terms energy: -31.361124 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -3.454 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: 9, replica: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -63.425161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.425161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.425161 (E_RNA) where: Base-Base interactions energy: -34.553 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.008 local terms energy: -28.864244 where: bonds (distance) C4'-P energy: -6.307 bonds (distance) P-C4' energy: -9.451 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -48.388100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.388100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.388100 (E_RNA) where: Base-Base interactions energy: -16.751 where: short stacking energy: -16.751 Base-Backbone interact. energy: -0.101 local terms energy: -31.535611 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -116.865242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.865242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.865242 (E_RNA) where: Base-Base interactions energy: -78.117 where: short stacking energy: -35.662 Base-Backbone interact. energy: -0.235 local terms energy: -38.513249 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -10.140 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -7.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -115.512880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.512880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.512880 (E_RNA) where: Base-Base interactions energy: -81.521 where: short stacking energy: -32.615 Base-Backbone interact. energy: -0.438 local terms energy: -33.553598 where: bonds (distance) C4'-P energy: -6.796 bonds (distance) P-C4' energy: -9.450 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -7.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -116.059545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.059545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.059545 (E_RNA) where: Base-Base interactions energy: -74.972 where: short stacking energy: -33.275 Base-Backbone interact. energy: -1.302 local terms energy: -39.785536 where: bonds (distance) C4'-P energy: -8.782 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -9.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -111.337409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.337409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.337409 (E_RNA) where: Base-Base interactions energy: -77.518 where: short stacking energy: -33.629 Base-Backbone interact. energy: -0.003 local terms energy: -33.815996 where: bonds (distance) C4'-P energy: -8.493 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -1.486 tors. eta vs tors. theta energy: -8.663 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: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -105.876528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.876528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.876528 (E_RNA) where: Base-Base interactions energy: -66.418 where: short stacking energy: -27.790 Base-Backbone interact. energy: -0.015 local terms energy: -39.443976 where: bonds (distance) C4'-P energy: -8.501 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -8.928 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -58.248556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.248556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.248556 (E_RNA) where: Base-Base interactions energy: -26.654 where: short stacking energy: -17.942 Base-Backbone interact. energy: 0.194 local terms energy: -31.788147 where: bonds (distance) C4'-P energy: -5.569 bonds (distance) P-C4' energy: -8.365 flat angles C4'-P-C4' energy: -9.550 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -67.286034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.286034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.286034 (E_RNA) where: Base-Base interactions energy: -28.455 where: short stacking energy: -26.927 Base-Backbone interact. energy: -0.003 local terms energy: -38.828169 where: bonds (distance) C4'-P energy: -8.786 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -10.174 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -46.212954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.212954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.212954 (E_RNA) where: Base-Base interactions energy: -12.766 where: short stacking energy: -10.203 Base-Backbone interact. energy: -0.008 local terms energy: -33.438752 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -51.165422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.165422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.165422 (E_RNA) where: Base-Base interactions energy: -22.613 where: short stacking energy: -22.613 Base-Backbone interact. energy: -0.072 local terms energy: -28.479658 where: bonds (distance) C4'-P energy: -8.574 bonds (distance) P-C4' energy: -2.788 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -7.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -50.648807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.648807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.648807 (E_RNA) where: Base-Base interactions energy: -17.541 where: short stacking energy: -16.750 Base-Backbone interact. energy: -0.000 local terms energy: -33.107477 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -2.120 tors. eta vs tors. theta energy: -7.464 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: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -109.890864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.890864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.890864 (E_RNA) where: Base-Base interactions energy: -74.474 where: short stacking energy: -30.026 Base-Backbone interact. energy: -0.100 local terms energy: -35.316843 where: bonds (distance) C4'-P energy: -8.252 bonds (distance) P-C4' energy: -8.914 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -115.351428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.351428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.351428 (E_RNA) where: Base-Base interactions energy: -73.227 where: short stacking energy: -31.948 Base-Backbone interact. energy: -0.118 local terms energy: -42.006880 where: bonds (distance) C4'-P energy: -8.293 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: -8.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -111.575393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.575393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.575393 (E_RNA) where: Base-Base interactions energy: -73.339 where: short stacking energy: -37.459 Base-Backbone interact. energy: -0.043 local terms energy: -38.192861 where: bonds (distance) C4'-P energy: -6.315 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -9.212 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -7.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -110.530721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.530721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.530721 (E_RNA) where: Base-Base interactions energy: -69.162 where: short stacking energy: -31.300 Base-Backbone interact. energy: -0.007 local terms energy: -41.361592 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -8.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -112.578485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.578485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.578485 (E_RNA) where: Base-Base interactions energy: -73.639 where: short stacking energy: -30.156 Base-Backbone interact. energy: -0.134 local terms energy: -38.805334 where: bonds (distance) C4'-P energy: -6.290 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -9.320 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -60.604428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.604428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.604428 (E_RNA) where: Base-Base interactions energy: -24.144 where: short stacking energy: -24.144 Base-Backbone interact. energy: -0.002 local terms energy: -36.458592 where: bonds (distance) C4'-P energy: -8.278 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -8.984 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -79.428214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.428214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.428214 (E_RNA) where: Base-Base interactions energy: -42.158 where: short stacking energy: -19.834 Base-Backbone interact. energy: -0.053 local terms energy: -37.216698 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -10.175 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -53.233147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.233147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.233147 (E_RNA) where: Base-Base interactions energy: -19.897 where: short stacking energy: -19.897 Base-Backbone interact. energy: -0.000 local terms energy: -33.335510 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -5.828 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -6.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -50.636098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.636098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.636098 (E_RNA) where: Base-Base interactions energy: -20.825 where: short stacking energy: -16.782 Base-Backbone interact. energy: -0.163 local terms energy: -29.647846 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -0.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -53.194620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.194620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.194620 (E_RNA) where: Base-Base interactions energy: -23.957 where: short stacking energy: -18.219 Base-Backbone interact. energy: -0.002 local terms energy: -29.235373 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: 1.012 tors. eta vs tors. theta energy: -6.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -117.089882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.089882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.089882 (E_RNA) where: Base-Base interactions energy: -73.720 where: short stacking energy: -31.464 Base-Backbone interact. energy: -0.197 local terms energy: -43.173391 where: bonds (distance) C4'-P energy: -9.792 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -8.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -119.115543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.115543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.115543 (E_RNA) where: Base-Base interactions energy: -76.259 where: short stacking energy: -34.422 Base-Backbone interact. energy: -0.704 local terms energy: -42.152738 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -8.297 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -7.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -109.264162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.264162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.264162 (E_RNA) where: Base-Base interactions energy: -77.433 where: short stacking energy: -32.232 Base-Backbone interact. energy: -0.190 local terms energy: -31.641494 where: bonds (distance) C4'-P energy: -7.180 bonds (distance) P-C4' energy: -7.710 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -7.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -111.575852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.575852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.575852 (E_RNA) where: Base-Base interactions energy: -74.331 where: short stacking energy: -36.349 Base-Backbone interact. energy: -0.062 local terms energy: -37.182783 where: bonds (distance) C4'-P energy: -6.287 bonds (distance) P-C4' energy: -7.710 flat angles C4'-P-C4' energy: -9.614 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -8.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -110.905287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.905287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.905287 (E_RNA) where: Base-Base interactions energy: -69.648 where: short stacking energy: -25.375 Base-Backbone interact. energy: -0.008 local terms energy: -41.249487 where: bonds (distance) C4'-P energy: -7.945 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -8.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -55.208088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.208088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.208088 (E_RNA) where: Base-Base interactions energy: -21.674 where: short stacking energy: -21.674 Base-Backbone interact. energy: -0.055 local terms energy: -33.478317 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -9.714 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -47.506442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.506442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.506442 (E_RNA) where: Base-Base interactions energy: -17.989 where: short stacking energy: -17.989 Base-Backbone interact. energy: -0.026 local terms energy: -29.491406 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -9.077 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -56.170045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.170045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.170045 (E_RNA) where: Base-Base interactions energy: -20.958 where: short stacking energy: -20.958 Base-Backbone interact. energy: -0.004 local terms energy: -35.208057 where: bonds (distance) C4'-P energy: -7.892 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -53.378788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.378788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.378788 (E_RNA) where: Base-Base interactions energy: -18.659 where: short stacking energy: -18.659 Base-Backbone interact. energy: 0.084 local terms energy: -34.803235 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -9.538 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -56.534611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.534611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.534611 (E_RNA) where: Base-Base interactions energy: -28.284 where: short stacking energy: -18.578 Base-Backbone interact. energy: -0.156 local terms energy: -28.094619 where: bonds (distance) C4'-P energy: -2.976 bonds (distance) P-C4' energy: -9.221 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -6.852 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -116.253825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.253825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.253825 (E_RNA) where: Base-Base interactions energy: -75.918 where: short stacking energy: -27.092 Base-Backbone interact. energy: -0.140 local terms energy: -40.195829 where: bonds (distance) C4'-P energy: -6.231 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -10.190 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -9.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -119.511030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.511030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.511030 (E_RNA) where: Base-Base interactions energy: -76.172 where: short stacking energy: -31.476 Base-Backbone interact. energy: 0.396 local terms energy: -43.735012 where: bonds (distance) C4'-P energy: -9.158 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -8.100 tors. eta vs tors. theta energy: -10.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -111.000903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.000903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.000903 (E_RNA) where: Base-Base interactions energy: -72.136 where: short stacking energy: -27.586 Base-Backbone interact. energy: -0.482 local terms energy: -38.382705 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -9.342 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -8.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -110.851419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.851419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.851419 (E_RNA) where: Base-Base interactions energy: -67.853 where: short stacking energy: -28.856 Base-Backbone interact. energy: -1.602 local terms energy: -41.396249 where: bonds (distance) C4'-P energy: -8.422 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -7.186 tors. eta vs tors. theta energy: -7.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -107.873767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.873767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.873767 (E_RNA) where: Base-Base interactions energy: -74.460 where: short stacking energy: -29.489 Base-Backbone interact. energy: -0.826 local terms energy: -32.587266 where: bonds (distance) C4'-P energy: -6.819 bonds (distance) P-C4' energy: -9.696 flat angles C4'-P-C4' energy: -3.528 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -6.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -51.525253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.525253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.525253 (E_RNA) where: Base-Base interactions energy: -14.777 where: short stacking energy: -14.934 Base-Backbone interact. energy: -0.209 local terms energy: -36.538880 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -8.460 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -55.616396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.616396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.616396 (E_RNA) where: Base-Base interactions energy: -22.196 where: short stacking energy: -19.522 Base-Backbone interact. energy: -0.088 local terms energy: -33.331841 where: bonds (distance) C4'-P energy: -4.576 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -55.151623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.151623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.151623 (E_RNA) where: Base-Base interactions energy: -21.604 where: short stacking energy: -21.604 Base-Backbone interact. energy: -0.098 local terms energy: -33.449972 where: bonds (distance) C4'-P energy: -6.327 bonds (distance) P-C4' energy: -9.181 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -6.610 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: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -56.894588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.894588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.894588 (E_RNA) where: Base-Base interactions energy: -24.331 where: short stacking energy: -24.165 Base-Backbone interact. energy: -0.004 local terms energy: -32.559982 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -43.991057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.991057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.991057 (E_RNA) where: Base-Base interactions energy: -12.117 where: short stacking energy: -12.117 Base-Backbone interact. energy: -0.010 local terms energy: -31.864682 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -9.669 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -0.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -117.842210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.842210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.842210 (E_RNA) where: Base-Base interactions energy: -73.014 where: short stacking energy: -32.475 Base-Backbone interact. energy: -0.074 local terms energy: -44.753452 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -9.453 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -11.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -123.673792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.673792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.673792 (E_RNA) where: Base-Base interactions energy: -82.700 where: short stacking energy: -36.109 Base-Backbone interact. energy: -0.017 local terms energy: -40.956669 where: bonds (distance) C4'-P energy: -8.847 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -10.072 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -10.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -110.054173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.054173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.054173 (E_RNA) where: Base-Base interactions energy: -71.475 where: short stacking energy: -26.345 Base-Backbone interact. energy: -0.002 local terms energy: -38.577814 where: bonds (distance) C4'-P energy: -7.512 bonds (distance) P-C4' energy: -10.910 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -7.761 tors. eta vs tors. theta energy: -5.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -106.811562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.811562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.811562 (E_RNA) where: Base-Base interactions energy: -71.769 where: short stacking energy: -29.847 Base-Backbone interact. energy: -0.339 local terms energy: -34.703575 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -6.183 flat angles C4'-P-C4' energy: -10.420 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -57.572764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.572764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.572764 (E_RNA) where: Base-Base interactions energy: -26.434 where: short stacking energy: -23.687 Base-Backbone interact. energy: -0.206 local terms energy: -30.932730 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -116.213566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.213566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.213566 (E_RNA) where: Base-Base interactions energy: -70.288 where: short stacking energy: -33.806 Base-Backbone interact. energy: -0.006 local terms energy: -45.919276 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -10.917 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -11.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -54.293665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.293665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.293665 (E_RNA) where: Base-Base interactions energy: -23.073 where: short stacking energy: -23.073 Base-Backbone interact. energy: -0.133 local terms energy: -31.087637 where: bonds (distance) C4'-P energy: -5.918 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -10.416 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -3.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -51.346212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.346212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.346212 (E_RNA) where: Base-Base interactions energy: -19.024 where: short stacking energy: -19.024 Base-Backbone interact. energy: -0.089 local terms energy: -32.233650 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -11.593 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -1.216 tors. eta vs tors. theta energy: -5.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -58.841871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.841871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.841871 (E_RNA) where: Base-Base interactions energy: -23.635 where: short stacking energy: -23.635 Base-Backbone interact. energy: -0.054 local terms energy: -35.153320 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -7.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -45.286697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.286697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.286697 (E_RNA) where: Base-Base interactions energy: -21.596 where: short stacking energy: -11.996 Base-Backbone interact. energy: -0.061 local terms energy: -23.629854 where: bonds (distance) C4'-P energy: -4.506 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -115.580297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.580297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.580297 (E_RNA) where: Base-Base interactions energy: -72.503 where: short stacking energy: -32.565 Base-Backbone interact. energy: -0.040 local terms energy: -43.037415 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -11.099 flat angles C4'-P-C4' energy: -10.071 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -6.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -112.253916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.253916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.253916 (E_RNA) where: Base-Base interactions energy: -72.642 where: short stacking energy: -34.086 Base-Backbone interact. energy: 0.044 local terms energy: -39.655536 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -8.696 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -110.216799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.216799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.216799 (E_RNA) where: Base-Base interactions energy: -70.844 where: short stacking energy: -30.504 Base-Backbone interact. energy: -0.099 local terms energy: -39.273057 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -8.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -106.797343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.797343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.797343 (E_RNA) where: Base-Base interactions energy: -72.171 where: short stacking energy: -26.354 Base-Backbone interact. energy: -0.016 local terms energy: -34.610086 where: bonds (distance) C4'-P energy: -8.810 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -75.666329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.666329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.666329 (E_RNA) where: Base-Base interactions energy: -35.876 where: short stacking energy: -33.362 Base-Backbone interact. energy: -0.006 local terms energy: -39.784805 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -9.742 flat angles C4'-P-C4' energy: -9.973 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -6.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -57.938344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.938344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.938344 (E_RNA) where: Base-Base interactions energy: -29.780 where: short stacking energy: -17.253 Base-Backbone interact. energy: -0.638 local terms energy: -27.520611 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -0.734 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: 157 Temperature: 1.200000 Total energy: -96.996674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.996674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.996674 (E_RNA) where: Base-Base interactions energy: -63.931 where: short stacking energy: -24.585 Base-Backbone interact. energy: -0.406 local terms energy: -32.659897 where: bonds (distance) C4'-P energy: -5.864 bonds (distance) P-C4' energy: -8.967 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -1.100 tors. eta vs tors. theta energy: -8.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -52.344372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.344372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.344372 (E_RNA) where: Base-Base interactions energy: -18.044 where: short stacking energy: -18.044 Base-Backbone interact. energy: -0.087 local terms energy: -34.213182 where: bonds (distance) C4'-P energy: -7.871 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -5.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -64.192500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.192500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.192500 (E_RNA) where: Base-Base interactions energy: -24.872 where: short stacking energy: -24.872 Base-Backbone interact. energy: -0.001 local terms energy: -39.319515 where: bonds (distance) C4'-P energy: -9.110 bonds (distance) P-C4' energy: -9.729 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -5.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -63.922470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.922470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.922470 (E_RNA) where: Base-Base interactions energy: -31.814 where: short stacking energy: -23.125 Base-Backbone interact. energy: -0.165 local terms energy: -31.943126 where: bonds (distance) C4'-P energy: -8.103 bonds (distance) P-C4' energy: -9.104 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -121.444545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.444545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.444545 (E_RNA) where: Base-Base interactions energy: -84.164 where: short stacking energy: -34.723 Base-Backbone interact. energy: -0.001 local terms energy: -37.279550 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -9.253 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -6.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -130.103099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.103099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.103099 (E_RNA) where: Base-Base interactions energy: -88.524 where: short stacking energy: -35.513 Base-Backbone interact. energy: -0.383 local terms energy: -41.195904 where: bonds (distance) C4'-P energy: -8.297 bonds (distance) P-C4' energy: -10.230 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -9.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -114.879874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.879874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.879874 (E_RNA) where: Base-Base interactions energy: -79.520 where: short stacking energy: -29.984 Base-Backbone interact. energy: 0.787 local terms energy: -36.147239 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -6.267 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: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -109.758956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.758956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.758956 (E_RNA) where: Base-Base interactions energy: -77.867 where: short stacking energy: -33.614 Base-Backbone interact. energy: -0.002 local terms energy: -31.890083 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -58.683764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.683764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.683764 (E_RNA) where: Base-Base interactions energy: -24.702 where: short stacking energy: -22.811 Base-Backbone interact. energy: -0.003 local terms energy: -33.979084 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -5.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -51.729137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.729137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.729137 (E_RNA) where: Base-Base interactions energy: -19.136 where: short stacking energy: -19.136 Base-Backbone interact. energy: 1.691 local terms energy: -34.284505 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -9.485 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -80.552262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.552262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.552262 (E_RNA) where: Base-Base interactions energy: -48.142 where: short stacking energy: -26.897 Base-Backbone interact. energy: -0.133 local terms energy: -32.277559 where: bonds (distance) C4'-P energy: -5.520 bonds (distance) P-C4' energy: -5.905 flat angles C4'-P-C4' energy: -9.890 flat angles P-C4'-P energy: -7.483 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -57.073518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.073518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.073518 (E_RNA) where: Base-Base interactions energy: -20.658 where: short stacking energy: -20.658 Base-Backbone interact. energy: -0.173 local terms energy: -36.242504 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -9.972 flat angles C4'-P-C4' energy: -9.662 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -47.671913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.671913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.671913 (E_RNA) where: Base-Base interactions energy: -21.348 where: short stacking energy: -18.251 Base-Backbone interact. energy: 1.170 local terms energy: -27.494064 where: bonds (distance) C4'-P energy: -7.913 bonds (distance) P-C4' energy: -11.099 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -1.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -44.426793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.426793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.426793 (E_RNA) where: Base-Base interactions energy: -17.670 where: short stacking energy: -11.100 Base-Backbone interact. energy: -0.181 local terms energy: -26.575607 where: bonds (distance) C4'-P energy: -6.584 bonds (distance) P-C4' energy: -8.757 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: 2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -118.965779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.965779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.965779 (E_RNA) where: Base-Base interactions energy: -76.043 where: short stacking energy: -33.759 Base-Backbone interact. energy: 0.248 local terms energy: -43.171629 where: bonds (distance) C4'-P energy: -9.118 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -10.731 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -8.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -119.154816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.154816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.154816 (E_RNA) where: Base-Base interactions energy: -72.611 where: short stacking energy: -32.445 Base-Backbone interact. energy: -0.060 local terms energy: -46.484512 where: bonds (distance) C4'-P energy: -9.234 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -10.286 flat angles P-C4'-P energy: -5.935 tors. eta vs tors. theta energy: -9.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -119.031847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.031847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.031847 (E_RNA) where: Base-Base interactions energy: -74.060 where: short stacking energy: -36.522 Base-Backbone interact. energy: -0.000 local terms energy: -44.971667 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -8.718 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -104.754456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.754456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.754456 (E_RNA) where: Base-Base interactions energy: -72.912 where: short stacking energy: -31.187 Base-Backbone interact. energy: -0.216 local terms energy: -31.625976 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -66.880118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.880118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.880118 (E_RNA) where: Base-Base interactions energy: -37.435 where: short stacking energy: -17.139 Base-Backbone interact. energy: 0.017 local terms energy: -29.461547 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -1.131 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -57.646266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.646266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.646266 (E_RNA) where: Base-Base interactions energy: -20.791 where: short stacking energy: -20.791 Base-Backbone interact. energy: -0.791 local terms energy: -36.063720 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -9.549 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -2.081 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: 159 Temperature: 1.200000 Total energy: -64.848570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.848570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.848570 (E_RNA) where: Base-Base interactions energy: -31.487 where: short stacking energy: -6.911 Base-Backbone interact. energy: -0.793 local terms energy: -32.568945 where: bonds (distance) C4'-P energy: -8.394 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.924 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: 0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -49.735645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.735645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.735645 (E_RNA) where: Base-Base interactions energy: -21.013 where: short stacking energy: -11.424 Base-Backbone interact. energy: -0.535 local terms energy: -28.187688 where: bonds (distance) C4'-P energy: -7.718 bonds (distance) P-C4' energy: -9.792 flat angles C4'-P-C4' energy: -0.478 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -49.989218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.989218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.989218 (E_RNA) where: Base-Base interactions energy: -21.129 where: short stacking energy: -19.466 Base-Backbone interact. energy: 0.692 local terms energy: -29.552480 where: bonds (distance) C4'-P energy: -6.174 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -8.506 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -48.917205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.917205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.917205 (E_RNA) where: Base-Base interactions energy: -16.447 where: short stacking energy: -10.770 Base-Backbone interact. energy: -0.181 local terms energy: -32.289290 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -7.400 tors. eta vs tors. theta energy: -0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -126.678765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.678765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.678765 (E_RNA) where: Base-Base interactions energy: -85.455 where: short stacking energy: -32.692 Base-Backbone interact. energy: -0.141 local terms energy: -41.082875 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -8.708 flat angles C4'-P-C4' energy: -10.022 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -10.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -117.012962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.012962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.012962 (E_RNA) where: Base-Base interactions energy: -76.550 where: short stacking energy: -35.633 Base-Backbone interact. energy: -0.003 local terms energy: -40.459748 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -8.929 flat angles C4'-P-C4' energy: -9.597 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -109.489830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.489830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.489830 (E_RNA) where: Base-Base interactions energy: -65.281 where: short stacking energy: -28.904 Base-Backbone interact. energy: -0.732 local terms energy: -43.477145 where: bonds (distance) C4'-P energy: -8.733 bonds (distance) P-C4' energy: -11.145 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -8.147 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: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -111.170998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.170998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.170998 (E_RNA) where: Base-Base interactions energy: -81.045 where: short stacking energy: -27.736 Base-Backbone interact. energy: -0.006 local terms energy: -30.120039 where: bonds (distance) C4'-P energy: -4.112 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -8.373 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: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -67.824054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.824054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.824054 (E_RNA) where: Base-Base interactions energy: -29.468 where: short stacking energy: -18.764 Base-Backbone interact. energy: -0.037 local terms energy: -38.319351 where: bonds (distance) C4'-P energy: -7.312 bonds (distance) P-C4' energy: -10.824 flat angles C4'-P-C4' energy: -9.853 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -65.814383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.814383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.814383 (E_RNA) where: Base-Base interactions energy: -28.618 where: short stacking energy: -26.538 Base-Backbone interact. energy: -0.000 local terms energy: -37.195439 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -57.065090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.065090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.065090 (E_RNA) where: Base-Base interactions energy: -21.184 where: short stacking energy: -14.806 Base-Backbone interact. energy: 0.378 local terms energy: -36.258982 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -8.394 flat angles C4'-P-C4' energy: -9.220 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -57.680897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.680897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.680897 (E_RNA) where: Base-Base interactions energy: -28.145 where: short stacking energy: -18.040 Base-Backbone interact. energy: -0.806 local terms energy: -28.729577 where: bonds (distance) C4'-P energy: -7.606 bonds (distance) P-C4' energy: -8.749 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -51.866749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.866749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.866749 (E_RNA) where: Base-Base interactions energy: -18.774 where: short stacking energy: -18.460 Base-Backbone interact. energy: -0.116 local terms energy: -32.976848 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -4.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -47.298136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.298136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.298136 (E_RNA) where: Base-Base interactions energy: -13.816 where: short stacking energy: -13.816 Base-Backbone interact. energy: -0.790 local terms energy: -32.691282 where: bonds (distance) C4'-P energy: -7.366 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -127.926858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.926858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.926858 (E_RNA) where: Base-Base interactions energy: -85.851 where: short stacking energy: -34.436 Base-Backbone interact. energy: -0.003 local terms energy: -42.072885 where: bonds (distance) C4'-P energy: -7.561 bonds (distance) P-C4' energy: -9.517 flat angles C4'-P-C4' energy: -11.281 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -10.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -112.007041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.007041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.007041 (E_RNA) where: Base-Base interactions energy: -71.698 where: short stacking energy: -33.581 Base-Backbone interact. energy: -0.137 local terms energy: -40.171392 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -6.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -118.576998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.576998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.576998 (E_RNA) where: Base-Base interactions energy: -75.735 where: short stacking energy: -33.148 Base-Backbone interact. energy: -0.175 local terms energy: -42.667247 where: bonds (distance) C4'-P energy: -8.579 bonds (distance) P-C4' energy: -9.729 flat angles C4'-P-C4' energy: -10.747 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -8.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -108.193502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.193502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.193502 (E_RNA) where: Base-Base interactions energy: -65.509 where: short stacking energy: -26.005 Base-Backbone interact. energy: -0.099 local terms energy: -42.584975 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -9.525 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -9.207 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: 5, replica: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -59.602076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.602076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.602076 (E_RNA) where: Base-Base interactions energy: -29.266 where: short stacking energy: -19.648 Base-Backbone interact. energy: -0.135 local terms energy: -30.201316 where: bonds (distance) C4'-P energy: -8.679 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -50.414140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.414140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.414140 (E_RNA) where: Base-Base interactions energy: -18.794 where: short stacking energy: -13.774 Base-Backbone interact. energy: -0.019 local terms energy: -31.601340 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -10.687 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -50.690839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.690839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.690839 (E_RNA) where: Base-Base interactions energy: -19.608 where: short stacking energy: -17.531 Base-Backbone interact. energy: -0.100 local terms energy: -30.982343 where: bonds (distance) C4'-P energy: -9.158 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -10.198 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -48.424786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.424786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.424786 (E_RNA) where: Base-Base interactions energy: -18.430 where: short stacking energy: -18.430 Base-Backbone interact. energy: -0.079 local terms energy: -29.915812 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: 1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -54.104240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.104240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.104240 (E_RNA) where: Base-Base interactions energy: -23.984 where: short stacking energy: -20.237 Base-Backbone interact. energy: 1.437 local terms energy: -31.556708 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -9.259 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -48.262996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.262996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.262996 (E_RNA) where: Base-Base interactions energy: -17.647 where: short stacking energy: -17.647 Base-Backbone interact. energy: -0.042 local terms energy: -30.574229 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -7.454 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -116.719463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.719463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.719463 (E_RNA) where: Base-Base interactions energy: -72.928 where: short stacking energy: -30.317 Base-Backbone interact. energy: -0.032 local terms energy: -43.759464 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -10.208 flat angles P-C4'-P energy: -6.687 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: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -117.194374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.194374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.194374 (E_RNA) where: Base-Base interactions energy: -81.539 where: short stacking energy: -28.108 Base-Backbone interact. energy: -0.006 local terms energy: -35.649257 where: bonds (distance) C4'-P energy: -6.745 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -9.508 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -8.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -121.642547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.642547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.642547 (E_RNA) where: Base-Base interactions energy: -79.818 where: short stacking energy: -29.802 Base-Backbone interact. energy: -0.168 local terms energy: -41.656052 where: bonds (distance) C4'-P energy: -9.495 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -10.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -113.724338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.724338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.724338 (E_RNA) where: Base-Base interactions energy: -74.354 where: short stacking energy: -34.936 Base-Backbone interact. energy: -0.002 local terms energy: -39.368120 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -8.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -62.049657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.049657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.049657 (E_RNA) where: Base-Base interactions energy: -23.449 where: short stacking energy: -16.173 Base-Backbone interact. energy: -0.007 local terms energy: -38.594112 where: bonds (distance) C4'-P energy: -9.671 bonds (distance) P-C4' energy: -9.224 flat angles C4'-P-C4' energy: -9.470 flat angles P-C4'-P energy: -7.094 tors. eta vs tors. theta energy: -3.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -58.521992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.521992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.521992 (E_RNA) where: Base-Base interactions energy: -25.010 where: short stacking energy: -25.010 Base-Backbone interact. energy: -0.019 local terms energy: -33.492926 where: bonds (distance) C4'-P energy: -6.182 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -5.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -52.933625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.933625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.933625 (E_RNA) where: Base-Base interactions energy: -24.546 where: short stacking energy: -24.546 Base-Backbone interact. energy: -0.070 local terms energy: -28.317067 where: bonds (distance) C4'-P energy: -6.384 bonds (distance) P-C4' energy: -6.800 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -4.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -56.952438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.952438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.952438 (E_RNA) where: Base-Base interactions energy: -26.498 where: short stacking energy: -26.498 Base-Backbone interact. energy: -0.053 local terms energy: -30.401480 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -5.481 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -54.595072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.595072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.595072 (E_RNA) where: Base-Base interactions energy: -22.801 where: short stacking energy: -22.597 Base-Backbone interact. energy: -0.162 local terms energy: -31.632341 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -9.767 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -48.367389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.367389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.367389 (E_RNA) where: Base-Base interactions energy: -25.267 where: short stacking energy: -12.668 Base-Backbone interact. energy: -0.074 local terms energy: -23.026652 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -6.638 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -122.886591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.886591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.886591 (E_RNA) where: Base-Base interactions energy: -80.998 where: short stacking energy: -31.664 Base-Backbone interact. energy: -0.004 local terms energy: -41.885339 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -9.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -122.784405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.784405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.784405 (E_RNA) where: Base-Base interactions energy: -81.877 where: short stacking energy: -33.326 Base-Backbone interact. energy: -0.012 local terms energy: -40.895022 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -9.755 flat angles P-C4'-P energy: -2.211 tors. eta vs tors. theta energy: -9.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -109.139501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.139501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.139501 (E_RNA) where: Base-Base interactions energy: -68.599 where: short stacking energy: -33.317 Base-Backbone interact. energy: -0.001 local terms energy: -40.539341 where: bonds (distance) C4'-P energy: -4.708 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -8.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -113.904176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.904176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.904176 (E_RNA) where: Base-Base interactions energy: -71.298 where: short stacking energy: -30.198 Base-Backbone interact. energy: -0.000 local terms energy: -42.606095 where: bonds (distance) C4'-P energy: -7.549 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -10.179 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -11.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -55.574396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.574396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.574396 (E_RNA) where: Base-Base interactions energy: -19.194 where: short stacking energy: -16.076 Base-Backbone interact. energy: -0.033 local terms energy: -36.347836 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -9.414 flat angles C4'-P-C4' energy: -8.441 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -57.445218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.445218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.445218 (E_RNA) where: Base-Base interactions energy: -26.127 where: short stacking energy: -19.316 Base-Backbone interact. energy: -0.127 local terms energy: -31.191459 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -6.144 flat angles C4'-P-C4' energy: -10.067 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -3.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -57.124311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.124311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.124311 (E_RNA) where: Base-Base interactions energy: -24.691 where: short stacking energy: -11.505 Base-Backbone interact. energy: -0.248 local terms energy: -32.185640 where: bonds (distance) C4'-P energy: -8.782 bonds (distance) P-C4' energy: -9.475 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -52.129333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.129333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.129333 (E_RNA) where: Base-Base interactions energy: -24.826 where: short stacking energy: -24.821 Base-Backbone interact. energy: -0.004 local terms energy: -27.299238 where: bonds (distance) C4'-P energy: -8.596 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -0.209 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -52.987122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.987122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.987122 (E_RNA) where: Base-Base interactions energy: -20.160 where: short stacking energy: -17.550 Base-Backbone interact. energy: -0.010 local terms energy: -32.816881 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -48.584130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.584130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.584130 (E_RNA) where: Base-Base interactions energy: -25.482 where: short stacking energy: -9.352 Base-Backbone interact. energy: -0.052 local terms energy: -23.050715 where: bonds (distance) C4'-P energy: -8.297 bonds (distance) P-C4' energy: -7.039 flat angles C4'-P-C4' energy: -1.757 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -116.816885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.816885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.816885 (E_RNA) where: Base-Base interactions energy: -77.557 where: short stacking energy: -33.265 Base-Backbone interact. energy: -0.217 local terms energy: -39.043401 where: bonds (distance) C4'-P energy: -7.487 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -8.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -116.419390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.419390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.419390 (E_RNA) where: Base-Base interactions energy: -73.822 where: short stacking energy: -32.942 Base-Backbone interact. energy: -0.000 local terms energy: -42.597477 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -8.819 flat angles C4'-P-C4' energy: -10.336 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -8.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -111.088496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.088496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.088496 (E_RNA) where: Base-Base interactions energy: -69.048 where: short stacking energy: -31.728 Base-Backbone interact. energy: -0.491 local terms energy: -41.549401 where: bonds (distance) C4'-P energy: -9.324 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -9.382 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -7.784 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: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -107.595257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.595257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.595257 (E_RNA) where: Base-Base interactions energy: -74.248 where: short stacking energy: -28.025 Base-Backbone interact. energy: -0.002 local terms energy: -33.344622 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -8.682 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -62.349772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.349772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.349772 (E_RNA) where: Base-Base interactions energy: -23.427 where: short stacking energy: -22.996 Base-Backbone interact. energy: -0.101 local terms energy: -38.822482 where: bonds (distance) C4'-P energy: -8.157 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -53.571104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.571104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.571104 (E_RNA) where: Base-Base interactions energy: -20.913 where: short stacking energy: -18.856 Base-Backbone interact. energy: 0.026 local terms energy: -32.683942 where: bonds (distance) C4'-P energy: -10.123 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -1.932 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -67.091421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.091421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.091421 (E_RNA) where: Base-Base interactions energy: -37.280 where: short stacking energy: -13.147 Base-Backbone interact. energy: -1.105 local terms energy: -28.706838 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -8.156 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -1.110 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -51.492209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.492209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.492209 (E_RNA) where: Base-Base interactions energy: -19.781 where: short stacking energy: -19.781 Base-Backbone interact. energy: -0.039 local terms energy: -31.672439 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: 0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -56.633922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.633922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.633922 (E_RNA) where: Base-Base interactions energy: -28.162 where: short stacking energy: -23.356 Base-Backbone interact. energy: -0.002 local terms energy: -28.470668 where: bonds (distance) C4'-P energy: -5.445 bonds (distance) P-C4' energy: -10.690 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -45.446397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.446397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.446397 (E_RNA) where: Base-Base interactions energy: -13.489 where: short stacking energy: -13.431 Base-Backbone interact. energy: -0.244 local terms energy: -31.714005 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -10.353 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -126.239298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.239298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.239298 (E_RNA) where: Base-Base interactions energy: -84.793 where: short stacking energy: -32.606 Base-Backbone interact. energy: -0.011 local terms energy: -41.435038 where: bonds (distance) C4'-P energy: -8.169 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -9.392 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: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -115.165180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.165180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.165180 (E_RNA) where: Base-Base interactions energy: -78.467 where: short stacking energy: -30.350 Base-Backbone interact. energy: -0.001 local terms energy: -36.697104 where: bonds (distance) C4'-P energy: -6.941 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -7.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -111.845699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.845699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.845699 (E_RNA) where: Base-Base interactions energy: -69.597 where: short stacking energy: -33.950 Base-Backbone interact. energy: -0.044 local terms energy: -42.204824 where: bonds (distance) C4'-P energy: -8.621 bonds (distance) P-C4' energy: -10.225 flat angles C4'-P-C4' energy: -9.689 flat angles P-C4'-P energy: -7.255 tors. eta vs tors. theta energy: -6.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -118.974704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.974704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.974704 (E_RNA) where: Base-Base interactions energy: -80.685 where: short stacking energy: -33.771 Base-Backbone interact. energy: -0.006 local terms energy: -38.283935 where: bonds (distance) C4'-P energy: -6.617 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -1.541 tors. eta vs tors. theta energy: -10.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -63.413585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.413585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.413585 (E_RNA) where: Base-Base interactions energy: -27.755 where: short stacking energy: -27.755 Base-Backbone interact. energy: -0.002 local terms energy: -35.656827 where: bonds (distance) C4'-P energy: -8.004 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -60.945738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.945738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.945738 (E_RNA) where: Base-Base interactions energy: -25.881 where: short stacking energy: -15.725 Base-Backbone interact. energy: -0.136 local terms energy: -34.928503 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -61.991002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.991002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.991002 (E_RNA) where: Base-Base interactions energy: -23.080 where: short stacking energy: -18.803 Base-Backbone interact. energy: -0.000 local terms energy: -38.910632 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -8.587 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -7.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -50.715880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.715880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.715880 (E_RNA) where: Base-Base interactions energy: -23.932 where: short stacking energy: -15.785 Base-Backbone interact. energy: 0.455 local terms energy: -27.238922 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -0.471 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -51.485080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.485080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.485080 (E_RNA) where: Base-Base interactions energy: -16.208 where: short stacking energy: -16.208 Base-Backbone interact. energy: -0.126 local terms energy: -35.151848 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -7.741 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -50.337716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.337716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.337716 (E_RNA) where: Base-Base interactions energy: -20.028 where: short stacking energy: -20.028 Base-Backbone interact. energy: -0.044 local terms energy: -30.265710 where: bonds (distance) C4'-P energy: -6.778 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -133.065086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.065086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.065086 (E_RNA) where: Base-Base interactions energy: -87.576 where: short stacking energy: -36.642 Base-Backbone interact. energy: -0.001 local terms energy: -45.488015 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -9.325 flat angles P-C4'-P energy: -6.887 tors. eta vs tors. theta energy: -10.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -126.064478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.064478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.064478 (E_RNA) where: Base-Base interactions energy: -84.510 where: short stacking energy: -33.593 Base-Backbone interact. energy: -0.003 local terms energy: -41.551569 where: bonds (distance) C4'-P energy: -8.120 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -8.819 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -9.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -119.309104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.309104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.309104 (E_RNA) where: Base-Base interactions energy: -76.115 where: short stacking energy: -34.374 Base-Backbone interact. energy: -0.005 local terms energy: -43.189596 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -8.980 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: 3 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -109.569166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.569166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.569166 (E_RNA) where: Base-Base interactions energy: -66.158 where: short stacking energy: -29.385 Base-Backbone interact. energy: -0.862 local terms energy: -42.548641 where: bonds (distance) C4'-P energy: -8.969 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -9.879 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -9.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -68.911654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.911654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.911654 (E_RNA) where: Base-Base interactions energy: -31.100 where: short stacking energy: -31.100 Base-Backbone interact. energy: -0.068 local terms energy: -37.743634 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -8.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -54.955514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.955514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.955514 (E_RNA) where: Base-Base interactions energy: -18.755 where: short stacking energy: -18.028 Base-Backbone interact. energy: -0.222 local terms energy: -35.978278 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -50.265863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.265863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.265863 (E_RNA) where: Base-Base interactions energy: -26.921 where: short stacking energy: -26.921 Base-Backbone interact. energy: 2.312 local terms energy: -25.656862 where: bonds (distance) C4'-P energy: -6.253 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -1.050 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -50.672955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.672955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.672955 (E_RNA) where: Base-Base interactions energy: -15.412 where: short stacking energy: -15.412 Base-Backbone interact. energy: -0.259 local terms energy: -35.001304 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -10.464 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: 0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -53.205555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.205555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.205555 (E_RNA) where: Base-Base interactions energy: -18.353 where: short stacking energy: -8.979 Base-Backbone interact. energy: -0.053 local terms energy: -34.798991 where: bonds (distance) C4'-P energy: -8.029 bonds (distance) P-C4' energy: -9.978 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -48.674500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.674500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.674500 (E_RNA) where: Base-Base interactions energy: -20.112 where: short stacking energy: -12.684 Base-Backbone interact. energy: -0.019 local terms energy: -28.543686 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -10.917 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: 0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -118.791367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.791367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.791367 (E_RNA) where: Base-Base interactions energy: -77.242 where: short stacking energy: -33.370 Base-Backbone interact. energy: -1.850 local terms energy: -39.699893 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -8.838 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -8.848 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: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -123.764074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.764074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.764074 (E_RNA) where: Base-Base interactions energy: -79.601 where: short stacking energy: -32.113 Base-Backbone interact. energy: -0.000 local terms energy: -44.162222 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -10.068 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -9.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -113.225935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.225935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.225935 (E_RNA) where: Base-Base interactions energy: -70.446 where: short stacking energy: -32.004 Base-Backbone interact. energy: -0.001 local terms energy: -42.778853 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -10.814 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -8.191 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: 4, replica: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -114.169330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.169330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.169330 (E_RNA) where: Base-Base interactions energy: -72.480 where: short stacking energy: -26.840 Base-Backbone interact. energy: -0.422 local terms energy: -41.267635 where: bonds (distance) C4'-P energy: -8.248 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -9.605 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -7.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -74.939941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.939941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.939941 (E_RNA) where: Base-Base interactions energy: -44.653 where: short stacking energy: -18.137 Base-Backbone interact. energy: -0.260 local terms energy: -30.026940 where: bonds (distance) C4'-P energy: -7.590 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -10.754 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: 0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -54.598465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.598465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.598465 (E_RNA) where: Base-Base interactions energy: -14.342 where: short stacking energy: -14.342 Base-Backbone interact. energy: -0.098 local terms energy: -40.158441 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -57.900391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.900391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.900391 (E_RNA) where: Base-Base interactions energy: -25.526 where: short stacking energy: -25.526 Base-Backbone interact. energy: -0.006 local terms energy: -32.367701 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -2.187 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -55.647331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.647331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.647331 (E_RNA) where: Base-Base interactions energy: -19.573 where: short stacking energy: -19.573 Base-Backbone interact. energy: -0.001 local terms energy: -36.073818 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -11.607 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -52.404193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.404193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.404193 (E_RNA) where: Base-Base interactions energy: -22.692 where: short stacking energy: -22.692 Base-Backbone interact. energy: -0.003 local terms energy: -29.709124 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -10.155 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -53.361317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.361317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.361317 (E_RNA) where: Base-Base interactions energy: -20.488 where: short stacking energy: -19.703 Base-Backbone interact. energy: -0.052 local terms energy: -32.821377 where: bonds (distance) C4'-P energy: -9.234 bonds (distance) P-C4' energy: -9.543 flat angles C4'-P-C4' energy: -9.638 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -111.043097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.043097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.043097 (E_RNA) where: Base-Base interactions energy: -66.996 where: short stacking energy: -29.781 Base-Backbone interact. energy: -0.710 local terms energy: -43.337033 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -10.649 flat angles C4'-P-C4' energy: -10.107 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -7.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -114.693492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.693492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.693492 (E_RNA) where: Base-Base interactions energy: -69.513 where: short stacking energy: -34.319 Base-Backbone interact. energy: -0.055 local terms energy: -45.124864 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -8.309 flat angles C4'-P-C4' energy: -9.627 flat angles P-C4'-P energy: -6.753 tors. eta vs tors. theta energy: -10.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -113.138252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.138252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.138252 (E_RNA) where: Base-Base interactions energy: -73.933 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.001 local terms energy: -39.204568 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -9.792 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: -6.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -107.327565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.327565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.327565 (E_RNA) where: Base-Base interactions energy: -70.500 where: short stacking energy: -24.238 Base-Backbone interact. energy: -0.140 local terms energy: -36.687436 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -9.475 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -63.162446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.162446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.162446 (E_RNA) where: Base-Base interactions energy: -25.250 where: short stacking energy: -25.250 Base-Backbone interact. energy: -0.042 local terms energy: -37.870316 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -9.523 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -5.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -63.978743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.978743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.978743 (E_RNA) where: Base-Base interactions energy: -28.473 where: short stacking energy: -18.405 Base-Backbone interact. energy: -1.190 local terms energy: -34.316434 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -6.589 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -8.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -60.666156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.666156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.666156 (E_RNA) where: Base-Base interactions energy: -31.910 where: short stacking energy: -16.058 Base-Backbone interact. energy: -0.263 local terms energy: -28.493262 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: 0.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -54.266363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.266363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.266363 (E_RNA) where: Base-Base interactions energy: -19.753 where: short stacking energy: -19.753 Base-Backbone interact. energy: -0.002 local terms energy: -34.511969 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.723 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -49.799384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.799384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.799384 (E_RNA) where: Base-Base interactions energy: -18.412 where: short stacking energy: -17.450 Base-Backbone interact. energy: 0.062 local terms energy: -31.450144 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -10.309 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -50.267781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.267781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.267781 (E_RNA) where: Base-Base interactions energy: -25.300 where: short stacking energy: -24.199 Base-Backbone interact. energy: -0.025 local terms energy: -24.942261 where: bonds (distance) C4'-P energy: -7.288 bonds (distance) P-C4' energy: -4.150 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -1.625 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -112.503227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.503227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.503227 (E_RNA) where: Base-Base interactions energy: -77.204 where: short stacking energy: -25.348 Base-Backbone interact. energy: -0.065 local terms energy: -35.233676 where: bonds (distance) C4'-P energy: -7.346 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -1.256 tors. eta vs tors. theta energy: -6.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -116.384575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.384575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.384575 (E_RNA) where: Base-Base interactions energy: -72.223 where: short stacking energy: -31.015 Base-Backbone interact. energy: 0.246 local terms energy: -44.407493 where: bonds (distance) C4'-P energy: -7.078 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -9.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -120.163769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.163769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.163769 (E_RNA) where: Base-Base interactions energy: -76.950 where: short stacking energy: -31.375 Base-Backbone interact. energy: -0.018 local terms energy: -43.195618 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -8.864 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -9.882 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: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -110.478319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.478319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.478319 (E_RNA) where: Base-Base interactions energy: -71.043 where: short stacking energy: -23.184 Base-Backbone interact. energy: -0.001 local terms energy: -39.434639 where: bonds (distance) C4'-P energy: -8.969 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -7.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -59.823069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.823069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.823069 (E_RNA) where: Base-Base interactions energy: -25.600 where: short stacking energy: -17.572 Base-Backbone interact. energy: -0.106 local terms energy: -34.116669 where: bonds (distance) C4'-P energy: -8.682 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -8.808 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -63.728034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.728034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.728034 (E_RNA) where: Base-Base interactions energy: -24.441 where: short stacking energy: -24.441 Base-Backbone interact. energy: -0.001 local terms energy: -39.286023 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -7.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -66.335908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.335908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.335908 (E_RNA) where: Base-Base interactions energy: -34.252 where: short stacking energy: -17.771 Base-Backbone interact. energy: -0.110 local terms energy: -31.974003 where: bonds (distance) C4'-P energy: -6.033 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -10.246 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -57.214998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.214998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.214998 (E_RNA) where: Base-Base interactions energy: -20.076 where: short stacking energy: -20.091 Base-Backbone interact. energy: -0.098 local terms energy: -37.040174 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -9.451 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -68.786422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.786422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.786422 (E_RNA) where: Base-Base interactions energy: -36.257 where: short stacking energy: -26.402 Base-Backbone interact. energy: -0.005 local terms energy: -32.523812 where: bonds (distance) C4'-P energy: -6.686 bonds (distance) P-C4' energy: -9.103 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -6.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -52.730392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.730392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.730392 (E_RNA) where: Base-Base interactions energy: -19.683 where: short stacking energy: -19.683 Base-Backbone interact. energy: -0.032 local terms energy: -33.015435 where: bonds (distance) C4'-P energy: -10.260 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -119.467919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.467919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.467919 (E_RNA) where: Base-Base interactions energy: -73.016 where: short stacking energy: -33.761 Base-Backbone interact. energy: -0.076 local terms energy: -46.375548 where: bonds (distance) C4'-P energy: -8.297 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -9.447 flat angles P-C4'-P energy: -7.769 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: 2, replica: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -114.642550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.642550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.642550 (E_RNA) where: Base-Base interactions energy: -82.424 where: short stacking energy: -29.144 Base-Backbone interact. energy: -0.025 local terms energy: -32.194252 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -9.305 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -1.758 tors. eta vs tors. theta energy: -7.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -112.353769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.353769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.353769 (E_RNA) where: Base-Base interactions energy: -74.195 where: short stacking energy: -24.706 Base-Backbone interact. energy: -0.723 local terms energy: -37.436400 where: bonds (distance) C4'-P energy: -8.400 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -7.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -110.103577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.103577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.103577 (E_RNA) where: Base-Base interactions energy: -66.976 where: short stacking energy: -26.770 Base-Backbone interact. energy: -0.069 local terms energy: -43.058301 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -9.002 flat angles C4'-P-C4' energy: -9.242 flat angles P-C4'-P energy: -7.624 tors. eta vs tors. theta energy: -7.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -71.091814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.091814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.091814 (E_RNA) where: Base-Base interactions energy: -33.418 where: short stacking energy: -25.769 Base-Backbone interact. energy: -0.021 local terms energy: -37.653354 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -9.049 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -6.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -51.782793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.782793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.782793 (E_RNA) where: Base-Base interactions energy: -17.391 where: short stacking energy: -17.115 Base-Backbone interact. energy: -0.233 local terms energy: -34.159457 where: bonds (distance) C4'-P energy: -9.066 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -54.543800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.543800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.543800 (E_RNA) where: Base-Base interactions energy: -22.612 where: short stacking energy: -19.302 Base-Backbone interact. energy: -0.047 local terms energy: -31.884072 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -8.387 flat angles C4'-P-C4' energy: -9.003 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -79.382945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.382945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.382945 (E_RNA) where: Base-Base interactions energy: -47.227 where: short stacking energy: -17.128 Base-Backbone interact. energy: -0.107 local terms energy: -32.049561 where: bonds (distance) C4'-P energy: -8.819 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -2.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -63.933739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.933739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.933739 (E_RNA) where: Base-Base interactions energy: -34.553 where: short stacking energy: -16.799 Base-Backbone interact. energy: 0.094 local terms energy: -29.475260 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -3.300 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -52.488572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.488572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.488572 (E_RNA) where: Base-Base interactions energy: -20.632 where: short stacking energy: -8.440 Base-Backbone interact. energy: 0.100 local terms energy: -31.957329 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -9.425 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: 0.846 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: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -116.462132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.462132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.462132 (E_RNA) where: Base-Base interactions energy: -77.187 where: short stacking energy: -33.879 Base-Backbone interact. energy: -0.112 local terms energy: -39.163091 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -7.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -125.179103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.179103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.179103 (E_RNA) where: Base-Base interactions energy: -83.796 where: short stacking energy: -35.907 Base-Backbone interact. energy: -0.000 local terms energy: -41.382579 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -121.532651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.532651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.532651 (E_RNA) where: Base-Base interactions energy: -81.503 where: short stacking energy: -36.332 Base-Backbone interact. energy: -0.000 local terms energy: -40.028912 where: bonds (distance) C4'-P energy: -6.803 bonds (distance) P-C4' energy: -9.729 flat angles C4'-P-C4' energy: -9.575 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -9.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -111.167472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.167472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.167472 (E_RNA) where: Base-Base interactions energy: -69.457 where: short stacking energy: -29.640 Base-Backbone interact. energy: -0.093 local terms energy: -41.617210 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -8.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -61.265001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.265001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.265001 (E_RNA) where: Base-Base interactions energy: -26.728 where: short stacking energy: -22.500 Base-Backbone interact. energy: -0.122 local terms energy: -34.415052 where: bonds (distance) C4'-P energy: -10.127 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -54.185681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.185681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.185681 (E_RNA) where: Base-Base interactions energy: -21.096 where: short stacking energy: -21.096 Base-Backbone interact. energy: -0.002 local terms energy: -33.087384 where: bonds (distance) C4'-P energy: -8.087 bonds (distance) P-C4' energy: -8.732 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -95.170595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.170595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.170595 (E_RNA) where: Base-Base interactions energy: -57.395 where: short stacking energy: -21.636 Base-Backbone interact. energy: -0.028 local terms energy: -37.747573 where: bonds (distance) C4'-P energy: -6.679 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -60.075370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.075370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.075370 (E_RNA) where: Base-Base interactions energy: -30.494 where: short stacking energy: -17.184 Base-Backbone interact. energy: -1.268 local terms energy: -28.313701 where: bonds (distance) C4'-P energy: -5.975 bonds (distance) P-C4' energy: -8.983 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -46.930790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.930790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.930790 (E_RNA) where: Base-Base interactions energy: -17.528 where: short stacking energy: -17.528 Base-Backbone interact. energy: -0.000 local terms energy: -29.402550 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -8.518 flat angles C4'-P-C4' energy: -1.461 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -5.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -54.101989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.101989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.101989 (E_RNA) where: Base-Base interactions energy: -27.617 where: short stacking energy: -20.671 Base-Backbone interact. energy: -0.092 local terms energy: -26.392497 where: bonds (distance) C4'-P energy: -6.662 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -8.760 flat angles P-C4'-P energy: -2.282 tors. eta vs tors. theta energy: -0.510 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: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -128.325706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.325706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.325706 (E_RNA) where: Base-Base interactions energy: -85.747 where: short stacking energy: -34.136 Base-Backbone interact. energy: -0.000 local terms energy: -42.578412 where: bonds (distance) C4'-P energy: -8.740 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -7.754 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -8.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -109.128969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.128969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.128969 (E_RNA) where: Base-Base interactions energy: -69.735 where: short stacking energy: -30.095 Base-Backbone interact. energy: -0.013 local terms energy: -39.380288 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -7.159 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -7.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -111.538700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.538700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.538700 (E_RNA) where: Base-Base interactions energy: -71.129 where: short stacking energy: -34.175 Base-Backbone interact. energy: -0.061 local terms energy: -40.348227 where: bonds (distance) C4'-P energy: -9.804 bonds (distance) P-C4' energy: -8.737 flat angles C4'-P-C4' energy: -9.178 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -107.574221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.574221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.574221 (E_RNA) where: Base-Base interactions energy: -73.743 where: short stacking energy: -31.018 Base-Backbone interact. energy: -0.008 local terms energy: -33.823386 where: bonds (distance) C4'-P energy: -7.119 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -5.024 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: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -68.323487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.323487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.323487 (E_RNA) where: Base-Base interactions energy: -26.951 where: short stacking energy: -14.286 Base-Backbone interact. energy: -0.110 local terms energy: -41.262469 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -9.350 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -5.407 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: 172 Temperature: 1.150000 Total energy: -62.375509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.375509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.375509 (E_RNA) where: Base-Base interactions energy: -24.602 where: short stacking energy: -17.140 Base-Backbone interact. energy: -0.097 local terms energy: -37.676633 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -9.333 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -2.612 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: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -95.146638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.146638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.146638 (E_RNA) where: Base-Base interactions energy: -61.458 where: short stacking energy: -21.129 Base-Backbone interact. energy: 0.819 local terms energy: -34.507633 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -10.511 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -2.855 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: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -62.858388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.858388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.858388 (E_RNA) where: Base-Base interactions energy: -25.682 where: short stacking energy: -24.528 Base-Backbone interact. energy: -0.078 local terms energy: -37.098276 where: bonds (distance) C4'-P energy: -5.616 bonds (distance) P-C4' energy: -7.747 flat angles C4'-P-C4' energy: -9.213 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -46.792125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.792125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.792125 (E_RNA) where: Base-Base interactions energy: -16.492 where: short stacking energy: -16.492 Base-Backbone interact. energy: -0.088 local terms energy: -30.211814 where: bonds (distance) C4'-P energy: -6.481 bonds (distance) P-C4' energy: -9.013 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -46.096596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.096596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.096596 (E_RNA) where: Base-Base interactions energy: -20.361 where: short stacking energy: -20.361 Base-Backbone interact. energy: -0.038 local terms energy: -25.696873 where: bonds (distance) C4'-P energy: -7.752 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -108.692795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.692795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.692795 (E_RNA) where: Base-Base interactions energy: -73.173 where: short stacking energy: -28.142 Base-Backbone interact. energy: -1.199 local terms energy: -34.320574 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -118.532474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.532474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.532474 (E_RNA) where: Base-Base interactions energy: -74.585 where: short stacking energy: -30.748 Base-Backbone interact. energy: -0.072 local terms energy: -43.875757 where: bonds (distance) C4'-P energy: -8.617 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -9.450 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -8.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -109.856289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.856289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.856289 (E_RNA) where: Base-Base interactions energy: -68.253 where: short stacking energy: -32.987 Base-Backbone interact. energy: -0.001 local terms energy: -41.603141 where: bonds (distance) C4'-P energy: -8.624 bonds (distance) P-C4' energy: -8.430 flat angles C4'-P-C4' energy: -9.433 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -8.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -107.557259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.557259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.557259 (E_RNA) where: Base-Base interactions energy: -68.094 where: short stacking energy: -32.638 Base-Backbone interact. energy: -0.005 local terms energy: -39.458354 where: bonds (distance) C4'-P energy: -10.082 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -8.474 flat angles P-C4'-P energy: -1.838 tors. eta vs tors. theta energy: -9.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -82.430351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.430351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.430351 (E_RNA) where: Base-Base interactions energy: -43.738 where: short stacking energy: -27.914 Base-Backbone interact. energy: -0.004 local terms energy: -38.688070 where: bonds (distance) C4'-P energy: -8.459 bonds (distance) P-C4' energy: -6.758 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -8.333 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: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -86.097367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.097367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.097367 (E_RNA) where: Base-Base interactions energy: -52.853 where: short stacking energy: -22.616 Base-Backbone interact. energy: -0.222 local terms energy: -33.021843 where: bonds (distance) C4'-P energy: -8.120 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -10.982 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -54.070162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.070162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.070162 (E_RNA) where: Base-Base interactions energy: -18.821 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.112 local terms energy: -35.136999 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -8.936 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -2.299 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: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -51.922836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.922836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.922836 (E_RNA) where: Base-Base interactions energy: -19.433 where: short stacking energy: -19.433 Base-Backbone interact. energy: -0.025 local terms energy: -32.465095 where: bonds (distance) C4'-P energy: -9.158 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -56.462660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.462660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.462660 (E_RNA) where: Base-Base interactions energy: -25.673 where: short stacking energy: -24.344 Base-Backbone interact. energy: -0.120 local terms energy: -30.669219 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -8.491 flat angles C4'-P-C4' energy: -2.242 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -7.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -44.515268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.515268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.515268 (E_RNA) where: Base-Base interactions energy: -15.414 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.053 local terms energy: -29.048515 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -6.781 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -117.082875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.082875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.082875 (E_RNA) where: Base-Base interactions energy: -77.532 where: short stacking energy: -31.788 Base-Backbone interact. energy: -0.027 local terms energy: -39.524473 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -9.438 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -6.524 tors. eta vs tors. theta energy: -6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -112.920351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.920351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.920351 (E_RNA) where: Base-Base interactions energy: -75.140 where: short stacking energy: -31.031 Base-Backbone interact. energy: -0.133 local terms energy: -37.646581 where: bonds (distance) C4'-P energy: -6.700 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -3.438 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: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -111.915192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.915192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.915192 (E_RNA) where: Base-Base interactions energy: -74.561 where: short stacking energy: -31.319 Base-Backbone interact. energy: -0.444 local terms energy: -36.910189 where: bonds (distance) C4'-P energy: -7.651 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -7.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -112.022629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.022629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.022629 (E_RNA) where: Base-Base interactions energy: -73.173 where: short stacking energy: -30.136 Base-Backbone interact. energy: -0.523 local terms energy: -38.326986 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.328 flat angles C4'-P-C4' energy: -10.714 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -8.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -95.256724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.256724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.256724 (E_RNA) where: Base-Base interactions energy: -55.738 where: short stacking energy: -29.496 Base-Backbone interact. energy: -0.003 local terms energy: -39.515619 where: bonds (distance) C4'-P energy: -9.502 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -7.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -57.687108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.687108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.687108 (E_RNA) where: Base-Base interactions energy: -29.125 where: short stacking energy: -13.203 Base-Backbone interact. energy: -0.271 local terms energy: -28.290381 where: bonds (distance) C4'-P energy: -6.066 bonds (distance) P-C4' energy: -6.074 flat angles C4'-P-C4' energy: -10.531 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: 1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -47.494008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.494008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.494008 (E_RNA) where: Base-Base interactions energy: -17.255 where: short stacking energy: -11.654 Base-Backbone interact. energy: -1.340 local terms energy: -28.899201 where: bonds (distance) C4'-P energy: -6.443 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -9.263 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: 0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -54.448562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.448562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.448562 (E_RNA) where: Base-Base interactions energy: -21.953 where: short stacking energy: -21.713 Base-Backbone interact. energy: -0.148 local terms energy: -32.347539 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -9.699 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -54.376895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.376895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.376895 (E_RNA) where: Base-Base interactions energy: -18.879 where: short stacking energy: -16.913 Base-Backbone interact. energy: -0.088 local terms energy: -35.409333 where: bonds (distance) C4'-P energy: -9.093 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -50.368911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.368911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.368911 (E_RNA) where: Base-Base interactions energy: -19.273 where: short stacking energy: -12.366 Base-Backbone interact. energy: -0.068 local terms energy: -31.028103 where: bonds (distance) C4'-P energy: -8.203 bonds (distance) P-C4' energy: -8.506 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -118.170624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.170624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.170624 (E_RNA) where: Base-Base interactions energy: -76.893 where: short stacking energy: -34.572 Base-Backbone interact. energy: -0.003 local terms energy: -41.274580 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -9.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -114.246213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.246213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.246213 (E_RNA) where: Base-Base interactions energy: -72.109 where: short stacking energy: -30.596 Base-Backbone interact. energy: -0.289 local terms energy: -41.848135 where: bonds (distance) C4'-P energy: -9.150 bonds (distance) P-C4' energy: -8.970 flat angles C4'-P-C4' energy: -8.726 flat angles P-C4'-P energy: -8.349 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -115.020679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.020679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.020679 (E_RNA) where: Base-Base interactions energy: -68.343 where: short stacking energy: -30.355 Base-Backbone interact. energy: -0.100 local terms energy: -46.577478 where: bonds (distance) C4'-P energy: -9.787 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -10.127 flat angles P-C4'-P energy: -8.061 tors. eta vs tors. theta energy: -8.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -109.657445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.657445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.657445 (E_RNA) where: Base-Base interactions energy: -69.124 where: short stacking energy: -30.489 Base-Backbone interact. energy: -0.548 local terms energy: -39.986076 where: bonds (distance) C4'-P energy: -8.153 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -62.266972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.266972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.266972 (E_RNA) where: Base-Base interactions energy: -25.997 where: short stacking energy: -25.997 Base-Backbone interact. energy: -0.971 local terms energy: -35.298948 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -9.100 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -5.992 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: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -60.970075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.970075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.970075 (E_RNA) where: Base-Base interactions energy: -27.990 where: short stacking energy: -14.873 Base-Backbone interact. energy: -0.083 local terms energy: -32.897124 where: bonds (distance) C4'-P energy: -8.338 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -9.798 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -49.996794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.996794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.996794 (E_RNA) where: Base-Base interactions energy: -18.793 where: short stacking energy: -18.793 Base-Backbone interact. energy: -0.001 local terms energy: -31.203757 where: bonds (distance) C4'-P energy: -8.340 bonds (distance) P-C4' energy: -8.161 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -52.440481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.440481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.440481 (E_RNA) where: Base-Base interactions energy: -16.367 where: short stacking energy: -13.800 Base-Backbone interact. energy: -0.223 local terms energy: -35.850833 where: bonds (distance) C4'-P energy: -9.058 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -9.892 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: 0.242 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: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -54.340349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.340349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.340349 (E_RNA) where: Base-Base interactions energy: -23.096 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.126 local terms energy: -31.118758 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -1.810 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: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -52.157409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.157409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.157409 (E_RNA) where: Base-Base interactions energy: -17.661 where: short stacking energy: -17.661 Base-Backbone interact. energy: -0.001 local terms energy: -34.495792 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -8.105 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -123.249460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.249460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.249460 (E_RNA) where: Base-Base interactions energy: -89.592 where: short stacking energy: -33.371 Base-Backbone interact. energy: -0.010 local terms energy: -33.647386 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -6.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -116.936880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.936880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.936880 (E_RNA) where: Base-Base interactions energy: -72.609 where: short stacking energy: -30.098 Base-Backbone interact. energy: -0.079 local terms energy: -44.248935 where: bonds (distance) C4'-P energy: -7.921 bonds (distance) P-C4' energy: -10.118 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -9.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -111.326738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.326738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.326738 (E_RNA) where: Base-Base interactions energy: -71.099 where: short stacking energy: -31.277 Base-Backbone interact. energy: -0.033 local terms energy: -40.194706 where: bonds (distance) C4'-P energy: -8.671 bonds (distance) P-C4' energy: -9.044 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -8.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -104.505715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.505715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.505715 (E_RNA) where: Base-Base interactions energy: -66.788 where: short stacking energy: -30.747 Base-Backbone interact. energy: -0.016 local terms energy: -37.700992 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -7.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -61.418633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.418633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.418633 (E_RNA) where: Base-Base interactions energy: -29.487 where: short stacking energy: -13.397 Base-Backbone interact. energy: -0.087 local terms energy: -31.845022 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -9.947 flat angles C4'-P-C4' energy: -9.613 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: 1.473 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: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -63.905592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.905592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.905592 (E_RNA) where: Base-Base interactions energy: -35.673 where: short stacking energy: -24.237 Base-Backbone interact. energy: -0.532 local terms energy: -27.700750 where: bonds (distance) C4'-P energy: -8.297 bonds (distance) P-C4' energy: -8.134 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: 0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -67.865892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.865892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.865892 (E_RNA) where: Base-Base interactions energy: -26.894 where: short stacking energy: -26.894 Base-Backbone interact. energy: -0.032 local terms energy: -40.939367 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -5.462 flat angles C4'-P-C4' energy: -11.043 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -8.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -55.501563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.501563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.501563 (E_RNA) where: Base-Base interactions energy: -21.825 where: short stacking energy: -21.825 Base-Backbone interact. energy: -0.055 local terms energy: -33.621609 where: bonds (distance) C4'-P energy: -6.832 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -51.772444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.772444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.772444 (E_RNA) where: Base-Base interactions energy: -25.608 where: short stacking energy: -9.780 Base-Backbone interact. energy: -0.069 local terms energy: -26.096082 where: bonds (distance) C4'-P energy: -8.542 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -1.402 tors. eta vs tors. theta energy: 0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -49.234564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.234564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.234564 (E_RNA) where: Base-Base interactions energy: -18.873 where: short stacking energy: -18.873 Base-Backbone interact. energy: -0.410 local terms energy: -29.951453 where: bonds (distance) C4'-P energy: -4.497 bonds (distance) P-C4' energy: -8.824 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -1.126 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: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -117.389762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.389762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.389762 (E_RNA) where: Base-Base interactions energy: -78.873 where: short stacking energy: -30.933 Base-Backbone interact. energy: -0.002 local terms energy: -38.514714 where: bonds (distance) C4'-P energy: -7.681 bonds (distance) P-C4' energy: -9.833 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -7.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -120.805719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.805719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.805719 (E_RNA) where: Base-Base interactions energy: -80.885 where: short stacking energy: -37.397 Base-Backbone interact. energy: -0.002 local terms energy: -39.918399 where: bonds (distance) C4'-P energy: -8.038 bonds (distance) P-C4' energy: -7.896 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -8.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -115.709150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.709150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.709150 (E_RNA) where: Base-Base interactions energy: -76.928 where: short stacking energy: -26.568 Base-Backbone interact. energy: -0.064 local terms energy: -38.717159 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -9.172 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -7.171 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: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -105.744589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.744589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.744589 (E_RNA) where: Base-Base interactions energy: -65.655 where: short stacking energy: -26.389 Base-Backbone interact. energy: -0.001 local terms energy: -40.089147 where: bonds (distance) C4'-P energy: -7.673 bonds (distance) P-C4' energy: -8.827 flat angles C4'-P-C4' energy: -10.222 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -7.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -60.008964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.008964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.008964 (E_RNA) where: Base-Base interactions energy: -27.368 where: short stacking energy: -26.966 Base-Backbone interact. energy: -0.088 local terms energy: -32.552732 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -5.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -67.160425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.160425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.160425 (E_RNA) where: Base-Base interactions energy: -28.670 where: short stacking energy: -28.670 Base-Backbone interact. energy: -0.000 local terms energy: -38.490108 where: bonds (distance) C4'-P energy: -7.524 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -8.447 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -56.449267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.449267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.449267 (E_RNA) where: Base-Base interactions energy: -27.576 where: short stacking energy: -18.507 Base-Backbone interact. energy: -0.194 local terms energy: -28.679834 where: bonds (distance) C4'-P energy: -9.097 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -2.005 tors. eta vs tors. theta energy: 0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -48.298695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.298695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.298695 (E_RNA) where: Base-Base interactions energy: -20.385 where: short stacking energy: -17.054 Base-Backbone interact. energy: -0.096 local terms energy: -27.817852 where: bonds (distance) C4'-P energy: -6.439 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -51.999993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.999993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.999993 (E_RNA) where: Base-Base interactions energy: -21.991 where: short stacking energy: -17.410 Base-Backbone interact. energy: -0.014 local terms energy: -29.995338 where: bonds (distance) C4'-P energy: -7.805 bonds (distance) P-C4' energy: -9.485 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -49.391622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.391622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.391622 (E_RNA) where: Base-Base interactions energy: -13.180 where: short stacking energy: -13.180 Base-Backbone interact. energy: -0.199 local terms energy: -36.012765 where: bonds (distance) C4'-P energy: -6.741 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -1.057 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: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -121.098282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.098282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.098282 (E_RNA) where: Base-Base interactions energy: -80.328 where: short stacking energy: -32.877 Base-Backbone interact. energy: -0.003 local terms energy: -40.767063 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -1.077 tors. eta vs tors. theta energy: -10.521 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: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -115.365712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.365712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.365712 (E_RNA) where: Base-Base interactions energy: -72.468 where: short stacking energy: -32.870 Base-Backbone interact. energy: -0.101 local terms energy: -42.796187 where: bonds (distance) C4'-P energy: -9.038 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -111.372990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.372990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.372990 (E_RNA) where: Base-Base interactions energy: -68.769 where: short stacking energy: -31.282 Base-Backbone interact. energy: -1.182 local terms energy: -41.422646 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -6.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -108.515137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.515137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.515137 (E_RNA) where: Base-Base interactions energy: -71.546 where: short stacking energy: -30.840 Base-Backbone interact. energy: -0.005 local terms energy: -36.963930 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -7.186 tors. eta vs tors. theta energy: -4.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -64.860040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.860040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.860040 (E_RNA) where: Base-Base interactions energy: -28.067 where: short stacking energy: -26.650 Base-Backbone interact. energy: -0.006 local terms energy: -36.787245 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -5.591 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: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -53.681479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.681479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.681479 (E_RNA) where: Base-Base interactions energy: -19.554 where: short stacking energy: -17.310 Base-Backbone interact. energy: -0.122 local terms energy: -34.006012 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -9.753 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -65.798228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.798228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.798228 (E_RNA) where: Base-Base interactions energy: -31.848 where: short stacking energy: -26.239 Base-Backbone interact. energy: -0.054 local terms energy: -33.896452 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -4.705 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: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -56.015029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.015029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.015029 (E_RNA) where: Base-Base interactions energy: -23.407 where: short stacking energy: -17.472 Base-Backbone interact. energy: -0.620 local terms energy: -31.988025 where: bonds (distance) C4'-P energy: -7.834 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -65.018594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.018594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.018594 (E_RNA) where: Base-Base interactions energy: -27.951 where: short stacking energy: -19.406 Base-Backbone interact. energy: -0.762 local terms energy: -36.305883 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -7.374 tors. eta vs tors. theta energy: -7.366 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: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -49.400289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.400289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.400289 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -12.097 Base-Backbone interact. energy: -0.013 local terms energy: -37.290441 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -9.182 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -110.294400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.294400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.294400 (E_RNA) where: Base-Base interactions energy: -66.960 where: short stacking energy: -29.117 Base-Backbone interact. energy: -0.076 local terms energy: -43.258534 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -9.979 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -115.230317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.230317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.230317 (E_RNA) where: Base-Base interactions energy: -76.966 where: short stacking energy: -37.686 Base-Backbone interact. energy: -0.101 local terms energy: -38.162699 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -9.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -111.683979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.683979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.683979 (E_RNA) where: Base-Base interactions energy: -74.302 where: short stacking energy: -27.868 Base-Backbone interact. energy: -0.001 local terms energy: -37.381696 where: bonds (distance) C4'-P energy: -7.859 bonds (distance) P-C4' energy: -10.122 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -112.476071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.476071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.476071 (E_RNA) where: Base-Base interactions energy: -68.245 where: short stacking energy: -30.268 Base-Backbone interact. energy: -0.020 local terms energy: -44.211112 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -7.441 tors. eta vs tors. theta energy: -9.772 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: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -59.310631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.310631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.310631 (E_RNA) where: Base-Base interactions energy: -24.309 where: short stacking energy: -24.309 Base-Backbone interact. energy: -0.001 local terms energy: -35.001440 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -10.175 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -54.543654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.543654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.543654 (E_RNA) where: Base-Base interactions energy: -21.909 where: short stacking energy: -21.698 Base-Backbone interact. energy: -0.004 local terms energy: -32.631071 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -104.068956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.068956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.068956 (E_RNA) where: Base-Base interactions energy: -66.435 where: short stacking energy: -27.550 Base-Backbone interact. energy: -0.011 local terms energy: -37.622711 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -9.616 flat angles C4'-P-C4' energy: -8.929 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -7.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -50.093262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.093262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.093262 (E_RNA) where: Base-Base interactions energy: -25.412 where: short stacking energy: -12.133 Base-Backbone interact. energy: -0.244 local terms energy: -24.437389 where: bonds (distance) C4'-P energy: -4.506 bonds (distance) P-C4' energy: -7.460 flat angles C4'-P-C4' energy: -9.486 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: 0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -53.393869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.393869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.393869 (E_RNA) where: Base-Base interactions energy: -20.048 where: short stacking energy: -20.048 Base-Backbone interact. energy: -0.001 local terms energy: -33.344024 where: bonds (distance) C4'-P energy: -8.247 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -3.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -42.720763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.720763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.720763 (E_RNA) where: Base-Base interactions energy: -17.499 where: short stacking energy: -15.857 Base-Backbone interact. energy: -0.002 local terms energy: -25.219604 where: bonds (distance) C4'-P energy: -1.264 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -10.089 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: 0.475 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: 180 Temperature: 0.900000 Total energy: -117.652715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.652715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.652715 (E_RNA) where: Base-Base interactions energy: -73.258 where: short stacking energy: -31.389 Base-Backbone interact. energy: -0.000 local terms energy: -44.394037 where: bonds (distance) C4'-P energy: -10.384 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -9.462 flat angles P-C4'-P energy: -8.611 tors. eta vs tors. theta energy: -7.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -117.229239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.229239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.229239 (E_RNA) where: Base-Base interactions energy: -81.611 where: short stacking energy: -31.370 Base-Backbone interact. energy: -0.085 local terms energy: -35.533301 where: bonds (distance) C4'-P energy: -8.537 bonds (distance) P-C4' energy: -9.576 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -116.055936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.055936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.055936 (E_RNA) where: Base-Base interactions energy: -73.890 where: short stacking energy: -33.192 Base-Backbone interact. energy: -0.405 local terms energy: -41.760089 where: bonds (distance) C4'-P energy: -9.482 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -10.492 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -7.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -107.629969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.629969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.629969 (E_RNA) where: Base-Base interactions energy: -69.596 where: short stacking energy: -27.433 Base-Backbone interact. energy: -0.001 local terms energy: -38.032990 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -5.833 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: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -58.945194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.945194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.945194 (E_RNA) where: Base-Base interactions energy: -24.122 where: short stacking energy: -24.122 Base-Backbone interact. energy: -0.012 local terms energy: -34.811474 where: bonds (distance) C4'-P energy: -6.613 bonds (distance) P-C4' energy: -10.057 flat angles C4'-P-C4' energy: -9.126 flat angles P-C4'-P energy: -8.101 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -61.477871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.477871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.477871 (E_RNA) where: Base-Base interactions energy: -27.349 where: short stacking energy: -18.923 Base-Backbone interact. energy: 1.803 local terms energy: -35.931656 where: bonds (distance) C4'-P energy: -9.093 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -111.649646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.649646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.649646 (E_RNA) where: Base-Base interactions energy: -66.192 where: short stacking energy: -28.204 Base-Backbone interact. energy: -0.493 local terms energy: -44.964791 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -7.588 flat angles C4'-P-C4' energy: -9.756 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -9.466 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: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -65.141394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.141394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.141394 (E_RNA) where: Base-Base interactions energy: -27.685 where: short stacking energy: -27.574 Base-Backbone interact. energy: -0.000 local terms energy: -37.456465 where: bonds (distance) C4'-P energy: -8.707 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -6.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -50.547454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.547454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.547454 (E_RNA) where: Base-Base interactions energy: -24.086 where: short stacking energy: -21.571 Base-Backbone interact. energy: -0.133 local terms energy: -26.328455 where: bonds (distance) C4'-P energy: -2.895 bonds (distance) P-C4' energy: -9.671 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -51.958093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.958093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.958093 (E_RNA) where: Base-Base interactions energy: -22.491 where: short stacking energy: -22.491 Base-Backbone interact. energy: -0.003 local terms energy: -29.463759 where: bonds (distance) C4'-P energy: -2.629 bonds (distance) P-C4' energy: -7.451 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -119.535500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.535500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.535500 (E_RNA) where: Base-Base interactions energy: -80.155 where: short stacking energy: -32.448 Base-Backbone interact. energy: -0.001 local terms energy: -39.379578 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -10.388 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -114.828991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.828991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.828991 (E_RNA) where: Base-Base interactions energy: -69.145 where: short stacking energy: -27.278 Base-Backbone interact. energy: -0.000 local terms energy: -45.683449 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -9.570 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -109.042215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.042215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.042215 (E_RNA) where: Base-Base interactions energy: -68.054 where: short stacking energy: -27.379 Base-Backbone interact. energy: 1.007 local terms energy: -41.994981 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -9.675 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -8.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -71.491523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.491523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.491523 (E_RNA) where: Base-Base interactions energy: -37.181 where: short stacking energy: -26.481 Base-Backbone interact. energy: -0.481 local terms energy: -33.829877 where: bonds (distance) C4'-P energy: -7.462 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -5.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -107.478382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.478382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.478382 (E_RNA) where: Base-Base interactions energy: -69.380 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.078 local terms energy: -38.020022 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -9.538 flat angles C4'-P-C4' energy: -9.067 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -103.404881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.404881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.404881 (E_RNA) where: Base-Base interactions energy: -63.776 where: short stacking energy: -25.627 Base-Backbone interact. energy: 0.656 local terms energy: -40.284654 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -6.922 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -6.401 tors. eta vs tors. theta energy: -9.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -54.727365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.727365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.727365 (E_RNA) where: Base-Base interactions energy: -25.651 where: short stacking energy: -25.344 Base-Backbone interact. energy: -0.134 local terms energy: -28.942034 where: bonds (distance) C4'-P energy: -9.564 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -58.216178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.216178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.216178 (E_RNA) where: Base-Base interactions energy: -22.453 where: short stacking energy: -21.537 Base-Backbone interact. energy: -0.000 local terms energy: -35.762502 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -58.950619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.950619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.950619 (E_RNA) where: Base-Base interactions energy: -20.775 where: short stacking energy: -20.775 Base-Backbone interact. energy: -0.019 local terms energy: -38.157286 where: bonds (distance) C4'-P energy: -7.735 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -6.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -49.189367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.189367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.189367 (E_RNA) where: Base-Base interactions energy: -16.572 where: short stacking energy: -16.572 Base-Backbone interact. energy: -0.153 local terms energy: -32.464046 where: bonds (distance) C4'-P energy: -8.323 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: 0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -127.221118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.221118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.221118 (E_RNA) where: Base-Base interactions energy: -81.878 where: short stacking energy: -36.940 Base-Backbone interact. energy: -0.005 local terms energy: -45.337831 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -9.343 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -10.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -118.291863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.291863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.291863 (E_RNA) where: Base-Base interactions energy: -76.993 where: short stacking energy: -35.108 Base-Backbone interact. energy: -0.002 local terms energy: -41.296738 where: bonds (distance) C4'-P energy: -7.259 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -9.574 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -8.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -115.450468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.450468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.450468 (E_RNA) where: Base-Base interactions energy: -70.829 where: short stacking energy: -30.443 Base-Backbone interact. energy: -1.786 local terms energy: -42.835523 where: bonds (distance) C4'-P energy: -9.018 bonds (distance) P-C4' energy: -8.746 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -7.141 tors. eta vs tors. theta energy: -8.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -60.674760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.674760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.674760 (E_RNA) where: Base-Base interactions energy: -29.221 where: short stacking energy: -22.082 Base-Backbone interact. energy: -0.201 local terms energy: -31.252547 where: bonds (distance) C4'-P energy: -7.938 bonds (distance) P-C4' energy: -8.162 flat angles C4'-P-C4' energy: -8.939 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -1.345 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: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -103.061992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.061992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.061992 (E_RNA) where: Base-Base interactions energy: -65.096 where: short stacking energy: -27.114 Base-Backbone interact. energy: -0.018 local terms energy: -37.947918 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -100.393273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.393273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.393273 (E_RNA) where: Base-Base interactions energy: -61.989 where: short stacking energy: -26.988 Base-Backbone interact. energy: 0.108 local terms energy: -38.512329 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -10.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -58.115730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.115730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.115730 (E_RNA) where: Base-Base interactions energy: -31.259 where: short stacking energy: -10.532 Base-Backbone interact. energy: -0.021 local terms energy: -26.835136 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -11.092 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -2.634 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: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -64.444659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.444659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.444659 (E_RNA) where: Base-Base interactions energy: -28.287 where: short stacking energy: -28.287 Base-Backbone interact. energy: -0.000 local terms energy: -36.157609 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -6.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -59.103871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.103871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.103871 (E_RNA) where: Base-Base interactions energy: -23.290 where: short stacking energy: -18.676 Base-Backbone interact. energy: -0.027 local terms energy: -35.787101 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -9.947 flat angles C4'-P-C4' energy: -9.244 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -52.532612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.532612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.532612 (E_RNA) where: Base-Base interactions energy: -18.741 where: short stacking energy: -18.741 Base-Backbone interact. energy: -0.036 local terms energy: -33.755563 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -8.852 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -126.438143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.438143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.438143 (E_RNA) where: Base-Base interactions energy: -85.294 where: short stacking energy: -33.125 Base-Backbone interact. energy: -0.724 local terms energy: -40.420157 where: bonds (distance) C4'-P energy: -9.771 bonds (distance) P-C4' energy: -8.272 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -11.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -123.522931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.522931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.522931 (E_RNA) where: Base-Base interactions energy: -83.476 where: short stacking energy: -34.166 Base-Backbone interact. energy: -0.005 local terms energy: -40.042081 where: bonds (distance) C4'-P energy: -9.412 bonds (distance) P-C4' energy: -9.168 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -7.006 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -110.717631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.717631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.717631 (E_RNA) where: Base-Base interactions energy: -67.430 where: short stacking energy: -32.049 Base-Backbone interact. energy: 0.833 local terms energy: -44.120834 where: bonds (distance) C4'-P energy: -8.235 bonds (distance) P-C4' energy: -8.588 flat angles C4'-P-C4' energy: -11.261 flat angles P-C4'-P energy: -7.890 tors. eta vs tors. theta energy: -8.147 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: 183 Temperature: 1.050000 Total energy: -106.582834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.582834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.582834 (E_RNA) where: Base-Base interactions energy: -71.254 where: short stacking energy: -30.919 Base-Backbone interact. energy: -0.007 local terms energy: -35.322065 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -9.506 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -61.292191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.292191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.292191 (E_RNA) where: Base-Base interactions energy: -24.476 where: short stacking energy: -20.759 Base-Backbone interact. energy: -0.403 local terms energy: -36.413422 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -9.013 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -89.670521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.670521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.670521 (E_RNA) where: Base-Base interactions energy: -64.622 where: short stacking energy: -23.120 Base-Backbone interact. energy: 0.829 local terms energy: -25.877731 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.471 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: 0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -102.403775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.403775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.403775 (E_RNA) where: Base-Base interactions energy: -62.794 where: short stacking energy: -21.433 Base-Backbone interact. energy: -0.105 local terms energy: -39.504539 where: bonds (distance) C4'-P energy: -9.833 bonds (distance) P-C4' energy: -9.625 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -7.056 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: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -54.270953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.270953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.270953 (E_RNA) where: Base-Base interactions energy: -24.255 where: short stacking energy: -16.909 Base-Backbone interact. energy: -0.558 local terms energy: -29.457780 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -55.260576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.260576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.260576 (E_RNA) where: Base-Base interactions energy: -23.811 where: short stacking energy: -23.811 Base-Backbone interact. energy: -0.185 local terms energy: -31.264822 where: bonds (distance) C4'-P energy: -8.740 bonds (distance) P-C4' energy: -7.682 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -2.499 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: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -51.356911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.356911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.356911 (E_RNA) where: Base-Base interactions energy: -15.743 where: short stacking energy: -15.743 Base-Backbone interact. energy: -0.085 local terms energy: -35.529035 where: bonds (distance) C4'-P energy: -9.149 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -9.142 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -119.297289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.297289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.297289 (E_RNA) where: Base-Base interactions energy: -76.640 where: short stacking energy: -27.671 Base-Backbone interact. energy: -0.001 local terms energy: -42.656848 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -9.452 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -9.769 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: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -113.148900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.148900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.148900 (E_RNA) where: Base-Base interactions energy: -66.771 where: short stacking energy: -30.063 Base-Backbone interact. energy: -2.420 local terms energy: -43.958434 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -7.988 tors. eta vs tors. theta energy: -6.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -108.754504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.754504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.754504 (E_RNA) where: Base-Base interactions energy: -67.533 where: short stacking energy: -30.591 Base-Backbone interact. energy: 0.367 local terms energy: -41.588553 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -10.141 flat angles C4'-P-C4' energy: -7.609 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -8.252 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: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -104.549406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.549406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.549406 (E_RNA) where: Base-Base interactions energy: -72.632 where: short stacking energy: -24.835 Base-Backbone interact. energy: -0.034 local terms energy: -31.884119 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -10.331 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -1.082 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: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -72.309308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.309308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.309308 (E_RNA) where: Base-Base interactions energy: -35.726 where: short stacking energy: -21.065 Base-Backbone interact. energy: -1.210 local terms energy: -35.373453 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -6.390 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -6.273 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: 6, replica: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -111.290815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.290815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.290815 (E_RNA) where: Base-Base interactions energy: -69.940 where: short stacking energy: -32.733 Base-Backbone interact. energy: -0.020 local terms energy: -41.330498 where: bonds (distance) C4'-P energy: -9.031 bonds (distance) P-C4' energy: -9.206 flat angles C4'-P-C4' energy: -10.462 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -8.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -109.227487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.227487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.227487 (E_RNA) where: Base-Base interactions energy: -69.219 where: short stacking energy: -34.065 Base-Backbone interact. energy: -0.000 local terms energy: -40.008586 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -9.672 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -52.794144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.794144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.794144 (E_RNA) where: Base-Base interactions energy: -19.249 where: short stacking energy: -14.514 Base-Backbone interact. energy: -0.005 local terms energy: -33.539580 where: bonds (distance) C4'-P energy: -8.335 bonds (distance) P-C4' energy: -9.376 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -1.445 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: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -53.418498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.418498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.418498 (E_RNA) where: Base-Base interactions energy: -16.750 where: short stacking energy: -16.750 Base-Backbone interact. energy: -0.062 local terms energy: -36.606673 where: bonds (distance) C4'-P energy: -8.625 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -50.020794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.020794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.020794 (E_RNA) where: Base-Base interactions energy: -22.949 where: short stacking energy: -22.563 Base-Backbone interact. energy: -0.374 local terms energy: -26.698270 where: bonds (distance) C4'-P energy: -6.394 bonds (distance) P-C4' energy: -8.982 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: 0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -123.805211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.805211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.805211 (E_RNA) where: Base-Base interactions energy: -76.936 where: short stacking energy: -34.168 Base-Backbone interact. energy: -0.524 local terms energy: -46.344402 where: bonds (distance) C4'-P energy: -7.512 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -8.001 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: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -116.829540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.829540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.829540 (E_RNA) where: Base-Base interactions energy: -76.661 where: short stacking energy: -30.888 Base-Backbone interact. energy: -0.096 local terms energy: -40.072357 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -10.563 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -8.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -106.093429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.093429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.093429 (E_RNA) where: Base-Base interactions energy: -75.104 where: short stacking energy: -28.090 Base-Backbone interact. energy: -0.065 local terms energy: -30.924894 where: bonds (distance) C4'-P energy: -6.050 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -4.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -108.712501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.712501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.712501 (E_RNA) where: Base-Base interactions energy: -70.717 where: short stacking energy: -33.306 Base-Backbone interact. energy: -0.031 local terms energy: -37.964993 where: bonds (distance) C4'-P energy: -5.706 bonds (distance) P-C4' energy: -10.105 flat angles C4'-P-C4' energy: -11.173 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -7.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -72.153686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.153686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.153686 (E_RNA) where: Base-Base interactions energy: -40.050 where: short stacking energy: -23.142 Base-Backbone interact. energy: -0.109 local terms energy: -31.994941 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -6.423 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -102.460549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.460549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.460549 (E_RNA) where: Base-Base interactions energy: -63.267 where: short stacking energy: -27.847 Base-Backbone interact. energy: -0.006 local terms energy: -39.187580 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -6.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -100.349291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.349291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.349291 (E_RNA) where: Base-Base interactions energy: -62.855 where: short stacking energy: -24.380 Base-Backbone interact. energy: -0.056 local terms energy: -37.438732 where: bonds (distance) C4'-P energy: -7.179 bonds (distance) P-C4' energy: -9.305 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -8.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -51.311042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.311042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.311042 (E_RNA) where: Base-Base interactions energy: -17.037 where: short stacking energy: -17.037 Base-Backbone interact. energy: -0.396 local terms energy: -33.878614 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -8.628 flat angles C4'-P-C4' energy: -9.175 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -49.115086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.115086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.115086 (E_RNA) where: Base-Base interactions energy: -25.211 where: short stacking energy: -19.292 Base-Backbone interact. energy: -0.004 local terms energy: -23.900274 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: 2.135 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -74.868584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.868584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.868584 (E_RNA) where: Base-Base interactions energy: -43.003 where: short stacking energy: -19.716 Base-Backbone interact. energy: -0.103 local terms energy: -31.762157 where: bonds (distance) C4'-P energy: -6.762 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -9.387 flat angles P-C4'-P energy: 0.247 tors. eta vs tors. theta energy: -5.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -120.173938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.173938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.173938 (E_RNA) where: Base-Base interactions energy: -73.356 where: short stacking energy: -30.327 Base-Backbone interact. energy: -1.053 local terms energy: -45.764767 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -10.888 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -10.553 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: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -113.261172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.261172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.261172 (E_RNA) where: Base-Base interactions energy: -72.629 where: short stacking energy: -30.235 Base-Backbone interact. energy: 0.043 local terms energy: -40.675401 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -10.336 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -7.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -111.062042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.062042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.062042 (E_RNA) where: Base-Base interactions energy: -73.209 where: short stacking energy: -30.909 Base-Backbone interact. energy: -0.056 local terms energy: -37.797678 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -9.757 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -113.501572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.501572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.501572 (E_RNA) where: Base-Base interactions energy: -76.136 where: short stacking energy: -30.416 Base-Backbone interact. energy: -0.345 local terms energy: -37.020325 where: bonds (distance) C4'-P energy: -6.663 bonds (distance) P-C4' energy: -10.398 flat angles C4'-P-C4' energy: -8.875 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -7.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -55.958238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.958238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.958238 (E_RNA) where: Base-Base interactions energy: -26.331 where: short stacking energy: -24.894 Base-Backbone interact. energy: -0.101 local terms energy: -29.526743 where: bonds (distance) C4'-P energy: -4.190 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -9.068 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -59.537528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.537528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.537528 (E_RNA) where: Base-Base interactions energy: -25.017 where: short stacking energy: -19.640 Base-Backbone interact. energy: -0.011 local terms energy: -34.509392 where: bonds (distance) C4'-P energy: -4.018 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -9.032 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -8.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -54.351106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.351106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.351106 (E_RNA) where: Base-Base interactions energy: -21.707 where: short stacking energy: -21.192 Base-Backbone interact. energy: -0.143 local terms energy: -32.501938 where: bonds (distance) C4'-P energy: -6.857 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -9.017 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -98.572151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.572151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.572151 (E_RNA) where: Base-Base interactions energy: -61.899 where: short stacking energy: -27.461 Base-Backbone interact. energy: 0.474 local terms energy: -37.147072 where: bonds (distance) C4'-P energy: -8.678 bonds (distance) P-C4' energy: -9.545 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -6.972 tors. eta vs tors. theta energy: -5.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -50.126935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.126935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.126935 (E_RNA) where: Base-Base interactions energy: -14.412 where: short stacking energy: -8.766 Base-Backbone interact. energy: -0.153 local terms energy: -35.561613 where: bonds (distance) C4'-P energy: -8.359 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: -8.472 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -53.878171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.878171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.878171 (E_RNA) where: Base-Base interactions energy: -24.255 where: short stacking energy: -3.370 Base-Backbone interact. energy: -0.258 local terms energy: -29.365521 where: bonds (distance) C4'-P energy: -3.512 bonds (distance) P-C4' energy: -8.989 flat angles C4'-P-C4' energy: -10.067 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -125.204228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.204228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.204228 (E_RNA) where: Base-Base interactions energy: -79.382 where: short stacking energy: -36.572 Base-Backbone interact. energy: -0.001 local terms energy: -45.821466 where: bonds (distance) C4'-P energy: -8.649 bonds (distance) P-C4' energy: -9.619 flat angles C4'-P-C4' energy: -9.717 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -10.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -115.241920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.241920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.241920 (E_RNA) where: Base-Base interactions energy: -74.132 where: short stacking energy: -32.100 Base-Backbone interact. energy: -0.021 local terms energy: -41.088744 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -9.269 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -6.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -116.567592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.567592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.567592 (E_RNA) where: Base-Base interactions energy: -77.944 where: short stacking energy: -34.868 Base-Backbone interact. energy: -0.048 local terms energy: -38.575583 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -107.825896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.825896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.825896 (E_RNA) where: Base-Base interactions energy: -69.555 where: short stacking energy: -26.551 Base-Backbone interact. energy: -0.009 local terms energy: -38.261617 where: bonds (distance) C4'-P energy: -3.817 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -10.343 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -8.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -64.816557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.816557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.816557 (E_RNA) where: Base-Base interactions energy: -24.665 where: short stacking energy: -24.665 Base-Backbone interact. energy: -0.008 local terms energy: -40.143083 where: bonds (distance) C4'-P energy: -9.254 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -9.692 flat angles P-C4'-P energy: -7.042 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -58.947782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.947782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.947782 (E_RNA) where: Base-Base interactions energy: -28.233 where: short stacking energy: -16.356 Base-Backbone interact. energy: -0.966 local terms energy: -29.748511 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -8.845 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -57.297282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.297282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.297282 (E_RNA) where: Base-Base interactions energy: -22.406 where: short stacking energy: -22.406 Base-Backbone interact. energy: -0.214 local terms energy: -34.676960 where: bonds (distance) C4'-P energy: -6.414 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -10.446 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -105.666375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.666375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.666375 (E_RNA) where: Base-Base interactions energy: -68.692 where: short stacking energy: -30.677 Base-Backbone interact. energy: -1.452 local terms energy: -35.522745 where: bonds (distance) C4'-P energy: -8.699 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -7.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -48.550969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.550969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.550969 (E_RNA) where: Base-Base interactions energy: -18.167 where: short stacking energy: -15.763 Base-Backbone interact. energy: -0.188 local terms energy: -30.195903 where: bonds (distance) C4'-P energy: -10.234 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: 2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -46.567066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.567066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.567066 (E_RNA) where: Base-Base interactions energy: -10.304 where: short stacking energy: -3.384 Base-Backbone interact. energy: -1.984 local terms energy: -34.279068 where: bonds (distance) C4'-P energy: -8.865 bonds (distance) P-C4' energy: -10.066 flat angles C4'-P-C4' energy: -9.089 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -112.877200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.877200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.877200 (E_RNA) where: Base-Base interactions energy: -73.378 where: short stacking energy: -26.098 Base-Backbone interact. energy: -0.012 local terms energy: -39.487450 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.841 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -110.286121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.286121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.286121 (E_RNA) where: Base-Base interactions energy: -68.758 where: short stacking energy: -29.365 Base-Backbone interact. energy: -0.648 local terms energy: -40.879961 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -8.093 flat angles C4'-P-C4' energy: -9.167 flat angles P-C4'-P energy: -6.845 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -121.251626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.251626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.251626 (E_RNA) where: Base-Base interactions energy: -82.600 where: short stacking energy: -32.172 Base-Backbone interact. energy: -0.003 local terms energy: -38.647817 where: bonds (distance) C4'-P energy: -7.627 bonds (distance) P-C4' energy: -10.233 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -8.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -110.293428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.293428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.293428 (E_RNA) where: Base-Base interactions energy: -77.330 where: short stacking energy: -32.100 Base-Backbone interact. energy: -0.527 local terms energy: -32.437103 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -6.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -68.713625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.713625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.713625 (E_RNA) where: Base-Base interactions energy: -28.635 where: short stacking energy: -22.567 Base-Backbone interact. energy: -0.025 local terms energy: -40.053377 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -7.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -58.754446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.754446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.754446 (E_RNA) where: Base-Base interactions energy: -19.717 where: short stacking energy: -18.989 Base-Backbone interact. energy: -0.376 local terms energy: -38.660754 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -11.354 flat angles C4'-P-C4' energy: -10.806 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -104.578218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.578218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.578218 (E_RNA) where: Base-Base interactions energy: -69.308 where: short stacking energy: -28.130 Base-Backbone interact. energy: -0.240 local terms energy: -35.030208 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -8.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -51.172005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.172005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.172005 (E_RNA) where: Base-Base interactions energy: -20.362 where: short stacking energy: -20.362 Base-Backbone interact. energy: -0.002 local terms energy: -30.808278 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -5.111 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -4.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -60.366454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.366454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.366454 (E_RNA) where: Base-Base interactions energy: -26.313 where: short stacking energy: -18.515 Base-Backbone interact. energy: -0.084 local terms energy: -33.968805 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -9.023 flat angles C4'-P-C4' energy: -9.630 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -48.787600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.787600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.787600 (E_RNA) where: Base-Base interactions energy: -15.115 where: short stacking energy: -15.115 Base-Backbone interact. energy: -0.008 local terms energy: -33.665158 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -7.915 tors. eta vs tors. theta energy: -2.834 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: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -116.681510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.681510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.681510 (E_RNA) where: Base-Base interactions energy: -74.815 where: short stacking energy: -29.355 Base-Backbone interact. energy: -0.001 local terms energy: -41.866060 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -9.964 flat angles C4'-P-C4' energy: -9.021 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -8.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -111.092746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.092746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.092746 (E_RNA) where: Base-Base interactions energy: -70.358 where: short stacking energy: -31.010 Base-Backbone interact. energy: -0.008 local terms energy: -40.726194 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -11.332 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -113.283627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.283627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.283627 (E_RNA) where: Base-Base interactions energy: -73.756 where: short stacking energy: -28.191 Base-Backbone interact. energy: -0.011 local terms energy: -39.516878 where: bonds (distance) C4'-P energy: -8.413 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -9.554 flat angles P-C4'-P energy: -0.782 tors. eta vs tors. theta energy: -9.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -115.923039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.923039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.923039 (E_RNA) where: Base-Base interactions energy: -77.841 where: short stacking energy: -29.104 Base-Backbone interact. energy: -0.415 local terms energy: -37.667058 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -9.436 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -69.738108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.738108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.738108 (E_RNA) where: Base-Base interactions energy: -27.273 where: short stacking energy: -26.354 Base-Backbone interact. energy: -0.007 local terms energy: -42.457628 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -9.639 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -7.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -60.589465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.589465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.589465 (E_RNA) where: Base-Base interactions energy: -31.439 where: short stacking energy: -13.941 Base-Backbone interact. energy: -0.849 local terms energy: -28.301602 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -7.200 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -65.472463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.472463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.472463 (E_RNA) where: Base-Base interactions energy: -25.854 where: short stacking energy: -25.623 Base-Backbone interact. energy: -1.011 local terms energy: -38.606741 where: bonds (distance) C4'-P energy: -8.596 bonds (distance) P-C4' energy: -8.499 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -8.192 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: 8, replica: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -52.192895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.192895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.192895 (E_RNA) where: Base-Base interactions energy: -18.092 where: short stacking energy: -18.092 Base-Backbone interact. energy: 0.453 local terms energy: -34.553599 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.174 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -55.999538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.999538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.999538 (E_RNA) where: Base-Base interactions energy: -24.944 where: short stacking energy: -23.083 Base-Backbone interact. energy: 0.597 local terms energy: -31.653281 where: bonds (distance) C4'-P energy: -2.916 bonds (distance) P-C4' energy: -9.714 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -5.691 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: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -45.027331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.027331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.027331 (E_RNA) where: Base-Base interactions energy: -15.756 where: short stacking energy: -15.756 Base-Backbone interact. energy: -0.098 local terms energy: -29.173309 where: bonds (distance) C4'-P energy: -8.766 bonds (distance) P-C4' energy: -6.939 flat angles C4'-P-C4' energy: -8.838 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: 0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -124.887862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.887862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.887862 (E_RNA) where: Base-Base interactions energy: -76.238 where: short stacking energy: -31.978 Base-Backbone interact. energy: -0.000 local terms energy: -48.649084 where: bonds (distance) C4'-P energy: -10.202 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -115.496939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.496939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.496939 (E_RNA) where: Base-Base interactions energy: -74.969 where: short stacking energy: -33.273 Base-Backbone interact. energy: -0.212 local terms energy: -40.315691 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -11.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -110.953747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.953747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.953747 (E_RNA) where: Base-Base interactions energy: -74.246 where: short stacking energy: -31.383 Base-Backbone interact. energy: -0.020 local terms energy: -36.688144 where: bonds (distance) C4'-P energy: -6.013 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -8.930 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -107.474561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.474561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.474561 (E_RNA) where: Base-Base interactions energy: -68.035 where: short stacking energy: -30.440 Base-Backbone interact. energy: -0.341 local terms energy: -39.098667 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -7.300 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -58.131847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.131847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.131847 (E_RNA) where: Base-Base interactions energy: -15.559 where: short stacking energy: -10.108 Base-Backbone interact. energy: -0.100 local terms energy: -42.472681 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -11.357 flat angles C4'-P-C4' energy: -10.023 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -4.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -61.065413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.065413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.065413 (E_RNA) where: Base-Base interactions energy: -26.350 where: short stacking energy: -26.350 Base-Backbone interact. energy: -0.026 local terms energy: -34.689432 where: bonds (distance) C4'-P energy: -8.222 bonds (distance) P-C4' energy: -5.943 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -9.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -53.992949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.992949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.992949 (E_RNA) where: Base-Base interactions energy: -24.255 where: short stacking energy: -10.840 Base-Backbone interact. energy: -0.054 local terms energy: -29.683684 where: bonds (distance) C4'-P energy: -7.549 bonds (distance) P-C4' energy: -9.242 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -0.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -46.105534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.105534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.105534 (E_RNA) where: Base-Base interactions energy: -16.890 where: short stacking energy: -13.768 Base-Backbone interact. energy: -0.167 local terms energy: -29.048529 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: 0.312 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: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -49.159162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.159162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.159162 (E_RNA) where: Base-Base interactions energy: -15.232 where: short stacking energy: -10.721 Base-Backbone interact. energy: 0.272 local terms energy: -34.199141 where: bonds (distance) C4'-P energy: -6.563 bonds (distance) P-C4' energy: -10.197 flat angles C4'-P-C4' energy: -9.152 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: 0.040 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: 10, replica: 5 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -46.754445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.754445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.754445 (E_RNA) where: Base-Base interactions energy: -12.822 where: short stacking energy: -12.822 Base-Backbone interact. energy: -0.087 local terms energy: -33.845397 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -10.229 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -3.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -120.083232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.083232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.083232 (E_RNA) where: Base-Base interactions energy: -74.672 where: short stacking energy: -33.984 Base-Backbone interact. energy: -0.851 local terms energy: -44.559762 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -9.484 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -11.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -118.264867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.264867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.264867 (E_RNA) where: Base-Base interactions energy: -75.180 where: short stacking energy: -33.763 Base-Backbone interact. energy: -0.573 local terms energy: -42.511530 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -8.187 flat angles C4'-P-C4' energy: -8.242 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -9.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -112.162066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.162066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.162066 (E_RNA) where: Base-Base interactions energy: -69.658 where: short stacking energy: -30.186 Base-Backbone interact. energy: -0.720 local terms energy: -41.783512 where: bonds (distance) C4'-P energy: -7.628 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -9.570 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -112.147519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.147519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.147519 (E_RNA) where: Base-Base interactions energy: -71.168 where: short stacking energy: -26.634 Base-Backbone interact. energy: -1.492 local terms energy: -39.487876 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -10.319 flat angles P-C4'-P energy: -8.118 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -61.651425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.651425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.651425 (E_RNA) where: Base-Base interactions energy: -24.853 where: short stacking energy: -23.603 Base-Backbone interact. energy: -0.082 local terms energy: -36.717173 where: bonds (distance) C4'-P energy: -5.305 bonds (distance) P-C4' energy: -9.365 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -8.947 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -65.390963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.390963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.390963 (E_RNA) where: Base-Base interactions energy: -25.034 where: short stacking energy: -25.034 Base-Backbone interact. energy: -0.000 local terms energy: -40.356925 where: bonds (distance) C4'-P energy: -9.652 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -11.070 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -5.187 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: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -60.231357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.231357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.231357 (E_RNA) where: Base-Base interactions energy: -22.431 where: short stacking energy: -22.394 Base-Backbone interact. energy: -0.100 local terms energy: -37.700568 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.184 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -8.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -54.969194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.969194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.969194 (E_RNA) where: Base-Base interactions energy: -24.450 where: short stacking energy: -19.041 Base-Backbone interact. energy: -0.879 local terms energy: -29.640134 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -6.960 flat angles C4'-P-C4' energy: -10.795 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: 0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -49.873799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.873799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.873799 (E_RNA) where: Base-Base interactions energy: -20.161 where: short stacking energy: -6.533 Base-Backbone interact. energy: -0.795 local terms energy: -28.917815 where: bonds (distance) C4'-P energy: -5.375 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -10.356 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: 1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -53.432141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.432141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.432141 (E_RNA) where: Base-Base interactions energy: -25.021 where: short stacking energy: -18.349 Base-Backbone interact. energy: -0.081 local terms energy: -28.329478 where: bonds (distance) C4'-P energy: -8.604 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -120.034454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.034454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.034454 (E_RNA) where: Base-Base interactions energy: -79.537 where: short stacking energy: -36.216 Base-Backbone interact. energy: -0.696 local terms energy: -39.801703 where: bonds (distance) C4'-P energy: -6.322 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -9.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -113.639150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.639150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.639150 (E_RNA) where: Base-Base interactions energy: -73.013 where: short stacking energy: -30.202 Base-Backbone interact. energy: -0.329 local terms energy: -40.297738 where: bonds (distance) C4'-P energy: -9.337 bonds (distance) P-C4' energy: -9.672 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -6.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -109.880665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.880665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.880665 (E_RNA) where: Base-Base interactions energy: -69.490 where: short stacking energy: -30.938 Base-Backbone interact. energy: -0.008 local terms energy: -40.382009 where: bonds (distance) C4'-P energy: -8.028 bonds (distance) P-C4' energy: -9.266 flat angles C4'-P-C4' energy: -9.754 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -7.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -112.333422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.333422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.333422 (E_RNA) where: Base-Base interactions energy: -72.516 where: short stacking energy: -31.322 Base-Backbone interact. energy: -0.087 local terms energy: -39.731039 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -8.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -59.675654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.675654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.675654 (E_RNA) where: Base-Base interactions energy: -26.851 where: short stacking energy: -26.851 Base-Backbone interact. energy: -0.001 local terms energy: -32.824274 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -56.291594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.291594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.291594 (E_RNA) where: Base-Base interactions energy: -22.655 where: short stacking energy: -22.655 Base-Backbone interact. energy: -0.220 local terms energy: -33.416478 where: bonds (distance) C4'-P energy: -8.012 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -3.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -53.458704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.458704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.458704 (E_RNA) where: Base-Base interactions energy: -20.789 where: short stacking energy: -15.973 Base-Backbone interact. energy: -0.013 local terms energy: -32.656294 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -7.997 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -5.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -55.788524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.788524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.788524 (E_RNA) where: Base-Base interactions energy: -19.179 where: short stacking energy: -18.587 Base-Backbone interact. energy: -0.051 local terms energy: -36.558953 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -9.370 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -52.481475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.481475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.481475 (E_RNA) where: Base-Base interactions energy: -15.804 where: short stacking energy: -15.804 Base-Backbone interact. energy: -0.014 local terms energy: -36.663470 where: bonds (distance) C4'-P energy: -4.920 bonds (distance) P-C4' energy: -9.982 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -6.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -45.560547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.560547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.560547 (E_RNA) where: Base-Base interactions energy: -16.756 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.257 local terms energy: -28.547350 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -116.058167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.058167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.058167 (E_RNA) where: Base-Base interactions energy: -76.081 where: short stacking energy: -32.843 Base-Backbone interact. energy: -0.241 local terms energy: -39.736244 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -9.366 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -5.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -113.473232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.473232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.473232 (E_RNA) where: Base-Base interactions energy: -69.833 where: short stacking energy: -31.431 Base-Backbone interact. energy: -0.869 local terms energy: -42.770693 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -9.751 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -7.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -110.310149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.310149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.310149 (E_RNA) where: Base-Base interactions energy: -68.587 where: short stacking energy: -28.675 Base-Backbone interact. energy: -0.001 local terms energy: -41.723047 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -9.417 flat angles C4'-P-C4' energy: -10.651 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -8.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -111.453198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.453198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.453198 (E_RNA) where: Base-Base interactions energy: -70.442 where: short stacking energy: -32.188 Base-Backbone interact. energy: -0.001 local terms energy: -41.010163 where: bonds (distance) C4'-P energy: -8.662 bonds (distance) P-C4' energy: -9.598 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -8.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -62.650738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.650738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.650738 (E_RNA) where: Base-Base interactions energy: -24.598 where: short stacking energy: -23.822 Base-Backbone interact. energy: -0.000 local terms energy: -38.052713 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -9.190 flat angles P-C4'-P energy: -8.067 tors. eta vs tors. theta energy: -4.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -46.847573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.847573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.847573 (E_RNA) where: Base-Base interactions energy: -13.025 where: short stacking energy: -13.025 Base-Backbone interact. energy: -0.170 local terms energy: -33.652656 where: bonds (distance) C4'-P energy: -6.989 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -55.156394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.156394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.156394 (E_RNA) where: Base-Base interactions energy: -20.949 where: short stacking energy: -20.949 Base-Backbone interact. energy: -0.005 local terms energy: -34.202653 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -58.020013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.020013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.020013 (E_RNA) where: Base-Base interactions energy: -30.341 where: short stacking energy: -8.545 Base-Backbone interact. energy: -0.126 local terms energy: -27.552615 where: bonds (distance) C4'-P energy: -5.772 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -0.659 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: 193 Temperature: 1.300000 Total energy: -44.922824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.922824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.922824 (E_RNA) where: Base-Base interactions energy: -15.868 where: short stacking energy: -14.262 Base-Backbone interact. energy: -0.134 local terms energy: -28.921053 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -9.744 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: 1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -51.143056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.143056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.143056 (E_RNA) where: Base-Base interactions energy: -26.912 where: short stacking energy: -3.633 Base-Backbone interact. energy: -0.224 local terms energy: -24.007026 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -2.638 tors. eta vs tors. theta energy: 5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -116.715571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.715571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.715571 (E_RNA) where: Base-Base interactions energy: -74.390 where: short stacking energy: -33.828 Base-Backbone interact. energy: -0.012 local terms energy: -42.314358 where: bonds (distance) C4'-P energy: -9.043 bonds (distance) P-C4' energy: -8.598 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -10.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -118.607111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.607111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.607111 (E_RNA) where: Base-Base interactions energy: -78.445 where: short stacking energy: -33.832 Base-Backbone interact. energy: -0.100 local terms energy: -40.062128 where: bonds (distance) C4'-P energy: -8.182 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -9.259 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -11.614 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: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -114.238538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.238538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.238538 (E_RNA) where: Base-Base interactions energy: -76.554 where: short stacking energy: -32.393 Base-Backbone interact. energy: -0.001 local terms energy: -37.684121 where: bonds (distance) C4'-P energy: -7.806 bonds (distance) P-C4' energy: -7.773 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -8.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -110.618318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.618318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.618318 (E_RNA) where: Base-Base interactions energy: -73.211 where: short stacking energy: -30.401 Base-Backbone interact. energy: -0.086 local terms energy: -37.321388 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -10.088 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -8.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -59.688219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.688219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.688219 (E_RNA) where: Base-Base interactions energy: -32.380 where: short stacking energy: -16.048 Base-Backbone interact. energy: -0.113 local terms energy: -27.194906 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -8.791 flat angles C4'-P-C4' energy: -3.405 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -64.234409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.234409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.234409 (E_RNA) where: Base-Base interactions energy: -27.989 where: short stacking energy: -27.989 Base-Backbone interact. energy: -0.000 local terms energy: -36.244988 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -8.066 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -91.385491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.385491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.385491 (E_RNA) where: Base-Base interactions energy: -58.730 where: short stacking energy: -26.794 Base-Backbone interact. energy: -0.019 local terms energy: -32.636837 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -55.416326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.416326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.416326 (E_RNA) where: Base-Base interactions energy: -28.970 where: short stacking energy: -15.123 Base-Backbone interact. energy: -0.344 local terms energy: -26.102346 where: bonds (distance) C4'-P energy: -6.973 bonds (distance) P-C4' energy: -10.342 flat angles C4'-P-C4' energy: -3.529 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: 0.970 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: 194 Temperature: 1.300000 Total energy: -52.298097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.298097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.298097 (E_RNA) where: Base-Base interactions energy: -17.918 where: short stacking energy: -17.918 Base-Backbone interact. energy: -0.001 local terms energy: -34.379288 where: bonds (distance) C4'-P energy: -8.231 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -48.668486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.668486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.668486 (E_RNA) where: Base-Base interactions energy: -21.083 where: short stacking energy: -21.083 Base-Backbone interact. energy: 2.137 local terms energy: -29.722373 where: bonds (distance) C4'-P energy: -5.800 bonds (distance) P-C4' energy: -7.322 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -125.284238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.284238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.284238 (E_RNA) where: Base-Base interactions energy: -77.612 where: short stacking energy: -36.407 Base-Backbone interact. energy: -0.912 local terms energy: -46.759686 where: bonds (distance) C4'-P energy: -8.944 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -10.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -116.462323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.462323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.462323 (E_RNA) where: Base-Base interactions energy: -76.715 where: short stacking energy: -27.186 Base-Backbone interact. energy: -0.147 local terms energy: -39.600232 where: bonds (distance) C4'-P energy: -9.966 bonds (distance) P-C4' energy: -7.629 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -7.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -118.712319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.712319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.712319 (E_RNA) where: Base-Base interactions energy: -81.593 where: short stacking energy: -31.391 Base-Backbone interact. energy: -0.001 local terms energy: -37.118988 where: bonds (distance) C4'-P energy: -9.547 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -8.800 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: 195 Temperature: 1.050000 Total energy: -110.792875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.792875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.792875 (E_RNA) where: Base-Base interactions energy: -68.083 where: short stacking energy: -28.906 Base-Backbone interact. energy: -0.378 local terms energy: -42.332056 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -6.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -105.104848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.104848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.104848 (E_RNA) where: Base-Base interactions energy: -65.200 where: short stacking energy: -26.138 Base-Backbone interact. energy: -0.082 local terms energy: -39.823762 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -5.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -110.891169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.891169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.891169 (E_RNA) where: Base-Base interactions energy: -76.911 where: short stacking energy: -31.295 Base-Backbone interact. energy: -0.001 local terms energy: -33.979343 where: bonds (distance) C4'-P energy: -7.400 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -1.823 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -64.545064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.545064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.545064 (E_RNA) where: Base-Base interactions energy: -26.501 where: short stacking energy: -22.597 Base-Backbone interact. energy: -0.069 local terms energy: -37.974664 where: bonds (distance) C4'-P energy: -8.053 bonds (distance) P-C4' energy: -9.491 flat angles C4'-P-C4' energy: -10.754 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -56.461144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.461144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.461144 (E_RNA) where: Base-Base interactions energy: -30.309 where: short stacking energy: -16.106 Base-Backbone interact. energy: -0.041 local terms energy: -26.111586 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: 0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -53.069508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.069508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.069508 (E_RNA) where: Base-Base interactions energy: -22.184 where: short stacking energy: -22.184 Base-Backbone interact. energy: 0.065 local terms energy: -30.949929 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -9.475 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -0.056 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -46.377068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.377068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.377068 (E_RNA) where: Base-Base interactions energy: -17.394 where: short stacking energy: -17.394 Base-Backbone interact. energy: -0.000 local terms energy: -28.982470 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -10.855 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -1.089 tors. eta vs tors. theta energy: -0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -117.211137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.211137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.211137 (E_RNA) where: Base-Base interactions energy: -74.998 where: short stacking energy: -23.395 Base-Backbone interact. energy: -0.001 local terms energy: -42.212199 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -7.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -106.698105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.698105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.698105 (E_RNA) where: Base-Base interactions energy: -65.368 where: short stacking energy: -26.444 Base-Backbone interact. energy: -0.093 local terms energy: -41.236700 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -10.130 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -7.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -113.282120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.282120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.282120 (E_RNA) where: Base-Base interactions energy: -71.086 where: short stacking energy: -32.061 Base-Backbone interact. energy: -0.097 local terms energy: -42.099153 where: bonds (distance) C4'-P energy: -8.993 bonds (distance) P-C4' energy: -9.083 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -10.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -117.842474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.842474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.842474 (E_RNA) where: Base-Base interactions energy: -75.312 where: short stacking energy: -31.960 Base-Backbone interact. energy: -0.001 local terms energy: -42.529761 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -8.984 flat angles C4'-P-C4' energy: -9.437 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -7.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -105.570370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.570370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.570370 (E_RNA) where: Base-Base interactions energy: -69.462 where: short stacking energy: -28.639 Base-Backbone interact. energy: -0.031 local terms energy: -36.076982 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -10.386 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -110.193192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.193192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.193192 (E_RNA) where: Base-Base interactions energy: -77.065 where: short stacking energy: -32.056 Base-Backbone interact. energy: -0.001 local terms energy: -33.127203 where: bonds (distance) C4'-P energy: -8.599 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -8.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -56.350900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.350900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.350900 (E_RNA) where: Base-Base interactions energy: -23.122 where: short stacking energy: -19.691 Base-Backbone interact. energy: -0.082 local terms energy: -33.146545 where: bonds (distance) C4'-P energy: -5.872 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -6.517 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -47.023565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.023565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.023565 (E_RNA) where: Base-Base interactions energy: -13.828 where: short stacking energy: -13.828 Base-Backbone interact. energy: -0.025 local terms energy: -33.170236 where: bonds (distance) C4'-P energy: -7.673 bonds (distance) P-C4' energy: -10.126 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -51.963909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.963909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.963909 (E_RNA) where: Base-Base interactions energy: -13.964 where: short stacking energy: -13.964 Base-Backbone interact. energy: -0.100 local terms energy: -37.899680 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -7.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -47.122597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.122597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.122597 (E_RNA) where: Base-Base interactions energy: -16.863 where: short stacking energy: -13.917 Base-Backbone interact. energy: -0.016 local terms energy: -30.243159 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -10.398 flat angles C4'-P-C4' energy: -8.857 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: 2.349 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: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -125.109743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.109743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.109743 (E_RNA) where: Base-Base interactions energy: -86.326 where: short stacking energy: -37.004 Base-Backbone interact. energy: -0.023 local terms energy: -38.761620 where: bonds (distance) C4'-P energy: -9.883 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -9.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -129.549098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.549098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.549098 (E_RNA) where: Base-Base interactions energy: -88.820 where: short stacking energy: -34.936 Base-Backbone interact. energy: -0.010 local terms energy: -40.719372 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -8.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -109.344432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.344432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.344432 (E_RNA) where: Base-Base interactions energy: -66.654 where: short stacking energy: -25.079 Base-Backbone interact. energy: -0.200 local terms energy: -42.490519 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -8.027 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: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -111.990650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.990650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.990650 (E_RNA) where: Base-Base interactions energy: -73.078 where: short stacking energy: -33.557 Base-Backbone interact. energy: 0.593 local terms energy: -39.505125 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -9.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -109.929301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.929301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.929301 (E_RNA) where: Base-Base interactions energy: -68.270 where: short stacking energy: -27.461 Base-Backbone interact. energy: 0.167 local terms energy: -41.825590 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -11.123 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -7.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -104.144430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.144430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.144430 (E_RNA) where: Base-Base interactions energy: -66.774 where: short stacking energy: -32.615 Base-Backbone interact. energy: -0.740 local terms energy: -36.630414 where: bonds (distance) C4'-P energy: -8.902 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -55.046505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.046505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.046505 (E_RNA) where: Base-Base interactions energy: -24.382 where: short stacking energy: -17.542 Base-Backbone interact. energy: -0.386 local terms energy: -30.278243 where: bonds (distance) C4'-P energy: -6.948 bonds (distance) P-C4' energy: -8.484 flat angles C4'-P-C4' energy: -8.785 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -50.528795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.528795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.528795 (E_RNA) where: Base-Base interactions energy: -20.559 where: short stacking energy: -20.559 Base-Backbone interact. energy: -0.092 local terms energy: -29.877564 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -9.380 flat angles C4'-P-C4' energy: -9.089 flat angles P-C4'-P energy: -0.184 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -51.853438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.853438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.853438 (E_RNA) where: Base-Base interactions energy: -18.937 where: short stacking energy: -17.572 Base-Backbone interact. energy: -0.161 local terms energy: -32.755215 where: bonds (distance) C4'-P energy: -3.438 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -10.154 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -47.010194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.010194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.010194 (E_RNA) where: Base-Base interactions energy: -16.352 where: short stacking energy: -11.137 Base-Backbone interact. energy: -0.005 local terms energy: -30.653370 where: bonds (distance) C4'-P energy: -8.778 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -118.089264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.089264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.089264 (E_RNA) where: Base-Base interactions energy: -81.390 where: short stacking energy: -33.475 Base-Backbone interact. energy: -0.006 local terms energy: -36.693924 where: bonds (distance) C4'-P energy: -7.789 bonds (distance) P-C4' energy: -9.517 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -8.399 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: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -116.952451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.952451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.952451 (E_RNA) where: Base-Base interactions energy: -79.076 where: short stacking energy: -33.671 Base-Backbone interact. energy: 0.694 local terms energy: -38.570307 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -1.538 tors. eta vs tors. theta energy: -8.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -117.794396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.794396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.794396 (E_RNA) where: Base-Base interactions energy: -78.341 where: short stacking energy: -29.993 Base-Backbone interact. energy: -0.009 local terms energy: -39.443905 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -9.552 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -9.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -106.118349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.118349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.118349 (E_RNA) where: Base-Base interactions energy: -70.016 where: short stacking energy: -29.530 Base-Backbone interact. energy: -0.098 local terms energy: -36.004570 where: bonds (distance) C4'-P energy: -5.358 bonds (distance) P-C4' energy: -10.863 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -5.853 tors. eta vs tors. theta energy: -6.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -105.078712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.078712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.078712 (E_RNA) where: Base-Base interactions energy: -65.379 where: short stacking energy: -27.724 Base-Backbone interact. energy: -0.046 local terms energy: -39.653905 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -10.375 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -8.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -103.502596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.502596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.502596 (E_RNA) where: Base-Base interactions energy: -67.312 where: short stacking energy: -33.522 Base-Backbone interact. energy: -0.101 local terms energy: -36.089585 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -7.940 flat angles C4'-P-C4' energy: -8.947 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -5.643 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: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -51.754120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.754120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.754120 (E_RNA) where: Base-Base interactions energy: -20.531 where: short stacking energy: -20.531 Base-Backbone interact. energy: 0.370 local terms energy: -31.593012 where: bonds (distance) C4'-P energy: -8.261 bonds (distance) P-C4' energy: -10.223 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -49.111258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.111258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.111258 (E_RNA) where: Base-Base interactions energy: -17.146 where: short stacking energy: -14.293 Base-Backbone interact. energy: -0.089 local terms energy: -31.876466 where: bonds (distance) C4'-P energy: -7.859 bonds (distance) P-C4' energy: -9.298 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -0.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -49.416324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.416324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.416324 (E_RNA) where: Base-Base interactions energy: -17.989 where: short stacking energy: -17.989 Base-Backbone interact. energy: -0.005 local terms energy: -31.423039 where: bonds (distance) C4'-P energy: -8.459 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -2.446 tors. eta vs tors. theta energy: -3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -49.902266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.902266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.902266 (E_RNA) where: Base-Base interactions energy: -20.233 where: short stacking energy: -20.233 Base-Backbone interact. energy: -0.057 local terms energy: -29.612547 where: bonds (distance) C4'-P energy: -8.471 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -119.395914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.395914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.395914 (E_RNA) where: Base-Base interactions energy: -79.123 where: short stacking energy: -30.637 Base-Backbone interact. energy: -0.081 local terms energy: -40.191818 where: bonds (distance) C4'-P energy: -6.448 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -9.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -119.168038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.168038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.168038 (E_RNA) where: Base-Base interactions energy: -82.919 where: short stacking energy: -31.232 Base-Backbone interact. energy: -0.718 local terms energy: -35.531038 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -9.013 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -1.197 tors. eta vs tors. theta energy: -8.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -117.098053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.098053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.098053 (E_RNA) where: Base-Base interactions energy: -78.835 where: short stacking energy: -29.770 Base-Backbone interact. energy: -0.003 local terms energy: -38.259814 where: bonds (distance) C4'-P energy: -7.084 bonds (distance) P-C4' energy: -9.009 flat angles C4'-P-C4' energy: -8.683 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -8.786 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: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -109.849085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.849085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.849085 (E_RNA) where: Base-Base interactions energy: -70.847 where: short stacking energy: -30.778 Base-Backbone interact. energy: -0.001 local terms energy: -39.001229 where: bonds (distance) C4'-P energy: -8.384 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -9.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -107.620057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.620057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.620057 (E_RNA) where: Base-Base interactions energy: -71.586 where: short stacking energy: -33.215 Base-Backbone interact. energy: 0.786 local terms energy: -36.819823 where: bonds (distance) C4'-P energy: -6.659 bonds (distance) P-C4' energy: -6.157 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: -8.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -104.104508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.104508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.104508 (E_RNA) where: Base-Base interactions energy: -64.993 where: short stacking energy: -23.986 Base-Backbone interact. energy: -0.121 local terms energy: -38.990277 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -9.070 flat angles C4'-P-C4' energy: -9.493 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -50.120309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.120309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.120309 (E_RNA) where: Base-Base interactions energy: -15.933 where: short stacking energy: -15.933 Base-Backbone interact. energy: 0.021 local terms energy: -34.208938 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -8.439 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -63.536936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.536936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.536936 (E_RNA) where: Base-Base interactions energy: -29.448 where: short stacking energy: -26.243 Base-Backbone interact. energy: -0.002 local terms energy: -34.086826 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -9.321 flat angles C4'-P-C4' energy: -10.097 flat angles P-C4'-P energy: -6.673 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -47.430278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.430278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.430278 (E_RNA) where: Base-Base interactions energy: -12.103 where: short stacking energy: -10.240 Base-Backbone interact. energy: -0.815 local terms energy: -34.512433 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -8.192 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -49.410326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.410326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.410326 (E_RNA) where: Base-Base interactions energy: -14.680 where: short stacking energy: -14.680 Base-Backbone interact. energy: -0.111 local terms energy: -34.619748 where: bonds (distance) C4'-P energy: -8.501 bonds (distance) P-C4' energy: -9.901 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -114.665279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.665279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.665279 (E_RNA) where: Base-Base interactions energy: -80.353 where: short stacking energy: -31.780 Base-Backbone interact. energy: -0.024 local terms energy: -34.289017 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -115.444351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.444351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.444351 (E_RNA) where: Base-Base interactions energy: -79.743 where: short stacking energy: -36.829 Base-Backbone interact. energy: -0.003 local terms energy: -35.698260 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -6.954 flat angles C4'-P-C4' energy: -8.891 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -6.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -122.912132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.912132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.912132 (E_RNA) where: Base-Base interactions energy: -76.698 where: short stacking energy: -30.705 Base-Backbone interact. energy: -0.000 local terms energy: -46.214348 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -10.271 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -10.367 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: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -110.230608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.230608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.230608 (E_RNA) where: Base-Base interactions energy: -69.715 where: short stacking energy: -28.847 Base-Backbone interact. energy: -0.690 local terms energy: -39.826126 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -6.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -107.028670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.028670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.028670 (E_RNA) where: Base-Base interactions energy: -69.227 where: short stacking energy: -26.137 Base-Backbone interact. energy: -0.142 local terms energy: -37.659341 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -8.077 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -9.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -102.436572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.436572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.436572 (E_RNA) where: Base-Base interactions energy: -64.619 where: short stacking energy: -24.904 Base-Backbone interact. energy: -0.072 local terms energy: -37.745207 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -8.012 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -7.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -60.603424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.603424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.603424 (E_RNA) where: Base-Base interactions energy: -31.758 where: short stacking energy: -29.005 Base-Backbone interact. energy: -0.826 local terms energy: -28.019103 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -8.298 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -1.835 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -50.686686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.686686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.686686 (E_RNA) where: Base-Base interactions energy: -15.425 where: short stacking energy: -5.606 Base-Backbone interact. energy: -0.043 local terms energy: -35.219375 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -46.936500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.936500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.936500 (E_RNA) where: Base-Base interactions energy: -21.174 where: short stacking energy: -21.174 Base-Backbone interact. energy: -0.001 local terms energy: -25.762062 where: bonds (distance) C4'-P energy: -4.836 bonds (distance) P-C4' energy: -10.097 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -51.511118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.511118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.511118 (E_RNA) where: Base-Base interactions energy: -18.225 where: short stacking energy: -16.122 Base-Backbone interact. energy: -0.036 local terms energy: -33.249213 where: bonds (distance) C4'-P energy: -8.756 bonds (distance) P-C4' energy: -8.524 flat angles C4'-P-C4' energy: -9.210 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -116.404096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.404096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.404096 (E_RNA) where: Base-Base interactions energy: -81.258 where: short stacking energy: -35.582 Base-Backbone interact. energy: -0.014 local terms energy: -35.132088 where: bonds (distance) C4'-P energy: -7.681 bonds (distance) P-C4' energy: -9.414 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -6.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -114.416096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.416096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.416096 (E_RNA) where: Base-Base interactions energy: -68.656 where: short stacking energy: -27.862 Base-Backbone interact. energy: -0.001 local terms energy: -45.758969 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -9.986 flat angles P-C4'-P energy: -8.105 tors. eta vs tors. theta energy: -7.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -112.665072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.665072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.665072 (E_RNA) where: Base-Base interactions energy: -73.292 where: short stacking energy: -34.381 Base-Backbone interact. energy: -2.185 local terms energy: -37.188637 where: bonds (distance) C4'-P energy: -6.273 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -114.058047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.058047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.058047 (E_RNA) where: Base-Base interactions energy: -74.426 where: short stacking energy: -31.116 Base-Backbone interact. energy: -0.001 local terms energy: -39.631152 where: bonds (distance) C4'-P energy: -8.692 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -9.970 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -8.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -107.378891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.378891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.378891 (E_RNA) where: Base-Base interactions energy: -70.501 where: short stacking energy: -27.843 Base-Backbone interact. energy: -0.633 local terms energy: -36.245541 where: bonds (distance) C4'-P energy: -10.355 bonds (distance) P-C4' energy: -9.153 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -100.491189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.491189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.491189 (E_RNA) where: Base-Base interactions energy: -64.167 where: short stacking energy: -26.349 Base-Backbone interact. energy: -0.005 local terms energy: -36.319117 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -6.247 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -5.424 tors. eta vs tors. theta energy: -9.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -52.813493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.813493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.813493 (E_RNA) where: Base-Base interactions energy: -21.362 where: short stacking energy: -17.547 Base-Backbone interact. energy: -0.072 local terms energy: -31.379116 where: bonds (distance) C4'-P energy: -8.293 bonds (distance) P-C4' energy: -7.032 flat angles C4'-P-C4' energy: -9.170 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -58.720064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.720064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.720064 (E_RNA) where: Base-Base interactions energy: -27.559 where: short stacking energy: -23.770 Base-Backbone interact. energy: -0.018 local terms energy: -31.142439 where: bonds (distance) C4'-P energy: -5.375 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -51.093590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.093590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.093590 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -13.900 Base-Backbone interact. energy: -0.007 local terms energy: -37.187010 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -11.339 flat angles C4'-P-C4' energy: -9.923 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -52.361843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.361843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.361843 (E_RNA) where: Base-Base interactions energy: -25.197 where: short stacking energy: -16.001 Base-Backbone interact. energy: 2.203 local terms energy: -29.367395 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -5.391 flat angles C4'-P-C4' energy: -7.913 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -109.163435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.163435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.163435 (E_RNA) where: Base-Base interactions energy: -67.767 where: short stacking energy: -28.142 Base-Backbone interact. energy: -0.344 local terms energy: -41.052734 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -7.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -119.046812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.046812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.046812 (E_RNA) where: Base-Base interactions energy: -83.779 where: short stacking energy: -31.390 Base-Backbone interact. energy: -0.004 local terms energy: -35.263473 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -6.610 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -9.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -117.907475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.907475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.907475 (E_RNA) where: Base-Base interactions energy: -74.880 where: short stacking energy: -33.522 Base-Backbone interact. energy: -0.408 local terms energy: -42.619138 where: bonds (distance) C4'-P energy: -8.737 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -10.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -105.821733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.821733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.821733 (E_RNA) where: Base-Base interactions energy: -69.600 where: short stacking energy: -30.745 Base-Backbone interact. energy: 0.494 local terms energy: -36.715828 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -9.583 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -121.575948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.575948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.575948 (E_RNA) where: Base-Base interactions energy: -79.895 where: short stacking energy: -32.081 Base-Backbone interact. energy: -0.001 local terms energy: -41.679971 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.934 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -8.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -56.773337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.773337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.773337 (E_RNA) where: Base-Base interactions energy: -20.173 where: short stacking energy: -20.173 Base-Backbone interact. energy: -0.028 local terms energy: -36.572692 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -7.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -55.593215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.593215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.593215 (E_RNA) where: Base-Base interactions energy: -26.630 where: short stacking energy: -13.240 Base-Backbone interact. energy: -0.018 local terms energy: -28.945097 where: bonds (distance) C4'-P energy: -5.466 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: 0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -54.074512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.074512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.074512 (E_RNA) where: Base-Base interactions energy: -28.451 where: short stacking energy: -15.691 Base-Backbone interact. energy: -0.201 local terms energy: -25.422140 where: bonds (distance) C4'-P energy: -4.344 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: 1.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -56.799378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.799378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.799378 (E_RNA) where: Base-Base interactions energy: -22.725 where: short stacking energy: -17.550 Base-Backbone interact. energy: -0.032 local terms energy: -34.042304 where: bonds (distance) C4'-P energy: -7.019 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -10.543 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -44.872662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.872662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.872662 (E_RNA) where: Base-Base interactions energy: -13.116 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.037 local terms energy: -31.720629 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -117.112089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.112089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.112089 (E_RNA) where: Base-Base interactions energy: -75.791 where: short stacking energy: -31.350 Base-Backbone interact. energy: -0.001 local terms energy: -41.319643 where: bonds (distance) C4'-P energy: -8.431 bonds (distance) P-C4' energy: -10.144 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -117.120853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.120853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.120853 (E_RNA) where: Base-Base interactions energy: -78.436 where: short stacking energy: -27.271 Base-Backbone interact. energy: -0.011 local terms energy: -38.673349 where: bonds (distance) C4'-P energy: -8.500 bonds (distance) P-C4' energy: -11.339 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -5.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -114.790715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.790715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.790715 (E_RNA) where: Base-Base interactions energy: -75.182 where: short stacking energy: -36.274 Base-Backbone interact. energy: -0.027 local terms energy: -39.582536 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -9.359 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -8.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -109.338302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.338302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.338302 (E_RNA) where: Base-Base interactions energy: -68.482 where: short stacking energy: -28.010 Base-Backbone interact. energy: -0.848 local terms energy: -40.008074 where: bonds (distance) C4'-P energy: -8.330 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -98.919389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.919389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.919389 (E_RNA) where: Base-Base interactions energy: -63.107 where: short stacking energy: -26.029 Base-Backbone interact. energy: -0.661 local terms energy: -35.151169 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -8.874 flat angles C4'-P-C4' energy: -9.526 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -58.138958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.138958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.138958 (E_RNA) where: Base-Base interactions energy: -23.342 where: short stacking energy: -10.823 Base-Backbone interact. energy: -0.153 local terms energy: -34.643917 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -8.452 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -58.264583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.264583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.264583 (E_RNA) where: Base-Base interactions energy: -22.724 where: short stacking energy: -20.946 Base-Backbone interact. energy: -0.003 local terms energy: -35.537371 where: bonds (distance) C4'-P energy: -7.831 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -45.435449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.435449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.435449 (E_RNA) where: Base-Base interactions energy: -17.074 where: short stacking energy: -15.856 Base-Backbone interact. energy: -0.076 local terms energy: -28.285425 where: bonds (distance) C4'-P energy: -7.477 bonds (distance) P-C4' energy: -5.379 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -49.539391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.539391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.539391 (E_RNA) where: Base-Base interactions energy: -17.984 where: short stacking energy: -14.732 Base-Backbone interact. energy: -0.044 local terms energy: -31.510475 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -1.653 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: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -50.129802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.129802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.129802 (E_RNA) where: Base-Base interactions energy: -16.368 where: short stacking energy: -16.368 Base-Backbone interact. energy: 1.535 local terms energy: -35.297086 where: bonds (distance) C4'-P energy: -8.588 bonds (distance) P-C4' energy: -9.398 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -114.602626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.602626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.602626 (E_RNA) where: Base-Base interactions energy: -70.603 where: short stacking energy: -33.723 Base-Backbone interact. energy: -0.010 local terms energy: -43.988826 where: bonds (distance) C4'-P energy: -9.652 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -10.677 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -8.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -110.315095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.315095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.315095 (E_RNA) where: Base-Base interactions energy: -70.514 where: short stacking energy: -31.961 Base-Backbone interact. energy: 0.385 local terms energy: -40.185836 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -7.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -112.290312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.290312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.290312 (E_RNA) where: Base-Base interactions energy: -72.062 where: short stacking energy: -32.093 Base-Backbone interact. energy: -1.188 local terms energy: -39.040252 where: bonds (distance) C4'-P energy: -8.881 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -7.312 tors. eta vs tors. theta energy: -7.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -107.730166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.730166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.730166 (E_RNA) where: Base-Base interactions energy: -74.813 where: short stacking energy: -32.541 Base-Backbone interact. energy: -0.023 local terms energy: -32.893867 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -2.468 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -10.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -108.304733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.304733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.304733 (E_RNA) where: Base-Base interactions energy: -68.059 where: short stacking energy: -29.322 Base-Backbone interact. energy: -0.002 local terms energy: -40.244196 where: bonds (distance) C4'-P energy: -5.330 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -9.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -71.480192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.480192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.480192 (E_RNA) where: Base-Base interactions energy: -30.577 where: short stacking energy: -30.577 Base-Backbone interact. energy: -0.007 local terms energy: -40.896452 where: bonds (distance) C4'-P energy: -8.877 bonds (distance) P-C4' energy: -9.757 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -10.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -57.088262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.088262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.088262 (E_RNA) where: Base-Base interactions energy: -19.507 where: short stacking energy: -19.507 Base-Backbone interact. energy: -0.388 local terms energy: -37.192460 where: bonds (distance) C4'-P energy: -8.429 bonds (distance) P-C4' energy: -9.746 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -7.240 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -55.578506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.578506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.578506 (E_RNA) where: Base-Base interactions energy: -20.266 where: short stacking energy: -20.266 Base-Backbone interact. energy: -0.036 local terms energy: -35.276530 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -9.876 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -46.075129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.075129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.075129 (E_RNA) where: Base-Base interactions energy: -18.487 where: short stacking energy: -13.984 Base-Backbone interact. energy: -0.011 local terms energy: -27.577602 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -51.014462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.014462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.014462 (E_RNA) where: Base-Base interactions energy: -16.877 where: short stacking energy: -16.877 Base-Backbone interact. energy: -0.019 local terms energy: -34.117816 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -5.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -115.007959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.007959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.007959 (E_RNA) where: Base-Base interactions energy: -73.638 where: short stacking energy: -24.355 Base-Backbone interact. energy: -0.006 local terms energy: -41.364451 where: bonds (distance) C4'-P energy: -9.399 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -9.807 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -109.816817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.816817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.816817 (E_RNA) where: Base-Base interactions energy: -67.563 where: short stacking energy: -26.443 Base-Backbone interact. energy: -0.187 local terms energy: -42.066954 where: bonds (distance) C4'-P energy: -9.217 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -7.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -110.676667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.676667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.676667 (E_RNA) where: Base-Base interactions energy: -74.661 where: short stacking energy: -33.892 Base-Backbone interact. energy: -0.054 local terms energy: -35.961188 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -9.732 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -7.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -109.159086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.159086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.159086 (E_RNA) where: Base-Base interactions energy: -69.633 where: short stacking energy: -26.263 Base-Backbone interact. energy: -0.008 local terms energy: -39.518404 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -9.019 flat angles C4'-P-C4' energy: -10.852 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -114.250585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.250585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.250585 (E_RNA) where: Base-Base interactions energy: -77.532 where: short stacking energy: -35.456 Base-Backbone interact. energy: -0.120 local terms energy: -36.598101 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -7.596 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: -8.695 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: 8 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -51.486629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.486629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.486629 (E_RNA) where: Base-Base interactions energy: -19.140 where: short stacking energy: -13.955 Base-Backbone interact. energy: -0.099 local terms energy: -32.247573 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -9.965 flat angles C4'-P-C4' energy: -8.591 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -0.849 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: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -61.684734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.684734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.684734 (E_RNA) where: Base-Base interactions energy: -27.326 where: short stacking energy: -27.175 Base-Backbone interact. energy: -0.115 local terms energy: -34.243147 where: bonds (distance) C4'-P energy: -3.880 bonds (distance) P-C4' energy: -8.037 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -63.381143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.381143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.381143 (E_RNA) where: Base-Base interactions energy: -27.115 where: short stacking energy: -20.506 Base-Backbone interact. energy: -0.324 local terms energy: -35.942661 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -9.720 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -48.635387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.635387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.635387 (E_RNA) where: Base-Base interactions energy: -14.424 where: short stacking energy: -14.424 Base-Backbone interact. energy: -0.022 local terms energy: -34.190051 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -9.230 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -47.188340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.188340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.188340 (E_RNA) where: Base-Base interactions energy: -17.696 where: short stacking energy: -14.770 Base-Backbone interact. energy: -0.021 local terms energy: -29.471105 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -0.827 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: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -114.184259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.184259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.184259 (E_RNA) where: Base-Base interactions energy: -70.286 where: short stacking energy: -29.469 Base-Backbone interact. energy: -0.094 local terms energy: -43.804325 where: bonds (distance) C4'-P energy: -9.006 bonds (distance) P-C4' energy: -8.700 flat angles C4'-P-C4' energy: -10.566 flat angles P-C4'-P energy: -7.880 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -119.058012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.058012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.058012 (E_RNA) where: Base-Base interactions energy: -78.064 where: short stacking energy: -31.702 Base-Backbone interact. energy: -0.349 local terms energy: -40.645736 where: bonds (distance) C4'-P energy: -7.884 bonds (distance) P-C4' energy: -7.763 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -9.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -113.816185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.816185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.816185 (E_RNA) where: Base-Base interactions energy: -81.022 where: short stacking energy: -28.583 Base-Backbone interact. energy: -0.014 local terms energy: -32.780587 where: bonds (distance) C4'-P energy: -6.369 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -2.163 tors. eta vs tors. theta energy: -8.404 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: 206 Temperature: 1.050000 Total energy: -109.133344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.133344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.133344 (E_RNA) where: Base-Base interactions energy: -68.895 where: short stacking energy: -26.802 Base-Backbone interact. energy: -0.003 local terms energy: -40.235122 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -8.561 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -5.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -115.251951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.251951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.251951 (E_RNA) where: Base-Base interactions energy: -73.802 where: short stacking energy: -31.988 Base-Backbone interact. energy: -0.000 local terms energy: -41.449508 where: bonds (distance) C4'-P energy: -6.663 bonds (distance) P-C4' energy: -9.833 flat angles C4'-P-C4' energy: -8.933 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -11.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -67.392706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.392706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.392706 (E_RNA) where: Base-Base interactions energy: -34.215 where: short stacking energy: -17.861 Base-Backbone interact. energy: -0.168 local terms energy: -33.009749 where: bonds (distance) C4'-P energy: -9.619 bonds (distance) P-C4' energy: -7.895 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -59.426192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.426192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.426192 (E_RNA) where: Base-Base interactions energy: -21.083 where: short stacking energy: -21.083 Base-Backbone interact. energy: 0.186 local terms energy: -38.529026 where: bonds (distance) C4'-P energy: -8.765 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -53.379140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.379140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.379140 (E_RNA) where: Base-Base interactions energy: -17.402 where: short stacking energy: -11.932 Base-Backbone interact. energy: 0.597 local terms energy: -36.574857 where: bonds (distance) C4'-P energy: -10.856 bonds (distance) P-C4' energy: -8.953 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -58.061580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.061580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.061580 (E_RNA) where: Base-Base interactions energy: -28.130 where: short stacking energy: -15.134 Base-Backbone interact. energy: 0.457 local terms energy: -30.387955 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -0.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -53.868611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.868611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.868611 (E_RNA) where: Base-Base interactions energy: -18.398 where: short stacking energy: -18.118 Base-Backbone interact. energy: -0.008 local terms energy: -35.462585 where: bonds (distance) C4'-P energy: -8.369 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -123.034539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.034539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.034539 (E_RNA) where: Base-Base interactions energy: -82.293 where: short stacking energy: -34.507 Base-Backbone interact. energy: -0.006 local terms energy: -40.736006 where: bonds (distance) C4'-P energy: -8.029 bonds (distance) P-C4' energy: -8.822 flat angles C4'-P-C4' energy: -7.991 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -9.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -114.291678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.291678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.291678 (E_RNA) where: Base-Base interactions energy: -79.129 where: short stacking energy: -32.081 Base-Backbone interact. energy: -0.383 local terms energy: -34.780123 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -5.481 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: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -112.952164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.952164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.952164 (E_RNA) where: Base-Base interactions energy: -73.293 where: short stacking energy: -28.377 Base-Backbone interact. energy: -0.098 local terms energy: -39.561253 where: bonds (distance) C4'-P energy: -9.164 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -8.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -112.610464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.610464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.610464 (E_RNA) where: Base-Base interactions energy: -75.954 where: short stacking energy: -31.205 Base-Backbone interact. energy: -0.965 local terms energy: -35.691191 where: bonds (distance) C4'-P energy: -6.410 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -7.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -98.201841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.201841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.201841 (E_RNA) where: Base-Base interactions energy: -63.431 where: short stacking energy: -25.057 Base-Backbone interact. energy: -0.194 local terms energy: -34.576683 where: bonds (distance) C4'-P energy: -4.066 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -10.794 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -66.367600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.367600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.367600 (E_RNA) where: Base-Base interactions energy: -37.106 where: short stacking energy: -19.108 Base-Backbone interact. energy: -0.208 local terms energy: -29.053158 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -6.960 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -49.984044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.984044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.984044 (E_RNA) where: Base-Base interactions energy: -22.907 where: short stacking energy: -22.907 Base-Backbone interact. energy: -0.004 local terms energy: -27.073473 where: bonds (distance) C4'-P energy: -8.642 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -1.593 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: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -76.539339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.539339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.539339 (E_RNA) where: Base-Base interactions energy: -48.054 where: short stacking energy: -16.611 Base-Backbone interact. energy: -0.083 local terms energy: -28.401731 where: bonds (distance) C4'-P energy: -9.329 bonds (distance) P-C4' energy: -8.463 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: 1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -54.885707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.885707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.885707 (E_RNA) where: Base-Base interactions energy: -21.786 where: short stacking energy: -14.159 Base-Backbone interact. energy: -1.241 local terms energy: -31.858396 where: bonds (distance) C4'-P energy: -7.631 bonds (distance) P-C4' energy: -8.986 flat angles C4'-P-C4' energy: -9.012 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -49.180803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.180803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.180803 (E_RNA) where: Base-Base interactions energy: -14.918 where: short stacking energy: -14.918 Base-Backbone interact. energy: -0.036 local terms energy: -34.226320 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -4.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -116.862342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.862342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.862342 (E_RNA) where: Base-Base interactions energy: -73.592 where: short stacking energy: -30.570 Base-Backbone interact. energy: -0.240 local terms energy: -43.029688 where: bonds (distance) C4'-P energy: -9.254 bonds (distance) P-C4' energy: -9.126 flat angles C4'-P-C4' energy: -10.854 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -7.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -110.447387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.447387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.447387 (E_RNA) where: Base-Base interactions energy: -69.841 where: short stacking energy: -31.700 Base-Backbone interact. energy: -0.324 local terms energy: -40.282170 where: bonds (distance) C4'-P energy: -8.447 bonds (distance) P-C4' energy: -9.488 flat angles C4'-P-C4' energy: -9.398 flat angles P-C4'-P energy: -6.677 tors. eta vs tors. theta energy: -6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -108.894798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.894798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.894798 (E_RNA) where: Base-Base interactions energy: -67.926 where: short stacking energy: -28.165 Base-Backbone interact. energy: -0.345 local terms energy: -40.624019 where: bonds (distance) C4'-P energy: -7.957 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -10.513 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -8.227 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: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -110.151444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.151444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.151444 (E_RNA) where: Base-Base interactions energy: -71.502 where: short stacking energy: -31.825 Base-Backbone interact. energy: -0.013 local terms energy: -38.636667 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -62.653240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.653240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.653240 (E_RNA) where: Base-Base interactions energy: -26.442 where: short stacking energy: -26.442 Base-Backbone interact. energy: -0.016 local terms energy: -36.194865 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -10.041 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -61.914207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.914207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.914207 (E_RNA) where: Base-Base interactions energy: -28.569 where: short stacking energy: -20.549 Base-Backbone interact. energy: 0.990 local terms energy: -34.336064 where: bonds (distance) C4'-P energy: -8.315 bonds (distance) P-C4' energy: -6.703 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -97.288880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.288880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.288880 (E_RNA) where: Base-Base interactions energy: -60.599 where: short stacking energy: -26.615 Base-Backbone interact. energy: -0.029 local terms energy: -36.660102 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -9.590 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -6.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -55.125452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.125452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.125452 (E_RNA) where: Base-Base interactions energy: -26.322 where: short stacking energy: -16.236 Base-Backbone interact. energy: -0.296 local terms energy: -28.507243 where: bonds (distance) C4'-P energy: -6.928 bonds (distance) P-C4' energy: -9.910 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -0.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -54.050707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.050707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.050707 (E_RNA) where: Base-Base interactions energy: -15.283 where: short stacking energy: -11.575 Base-Backbone interact. energy: -0.009 local terms energy: -38.759275 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -9.088 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -6.673 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -43.058109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.058109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.058109 (E_RNA) where: Base-Base interactions energy: -18.205 where: short stacking energy: -9.175 Base-Backbone interact. energy: -0.005 local terms energy: -24.848454 where: bonds (distance) C4'-P energy: -5.793 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: 3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -120.206796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.206796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.206796 (E_RNA) where: Base-Base interactions energy: -72.815 where: short stacking energy: -33.498 Base-Backbone interact. energy: -0.007 local terms energy: -47.384995 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -10.458 flat angles C4'-P-C4' energy: -10.386 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -9.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -117.643540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.643540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.643540 (E_RNA) where: Base-Base interactions energy: -75.874 where: short stacking energy: -34.980 Base-Backbone interact. energy: -0.096 local terms energy: -41.673005 where: bonds (distance) C4'-P energy: -8.906 bonds (distance) P-C4' energy: -8.309 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -6.564 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: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -116.504866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.504866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.504866 (E_RNA) where: Base-Base interactions energy: -70.404 where: short stacking energy: -27.305 Base-Backbone interact. energy: -1.957 local terms energy: -44.143112 where: bonds (distance) C4'-P energy: -10.554 bonds (distance) P-C4' energy: -11.096 flat angles C4'-P-C4' energy: -9.347 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: -5.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -68.417737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.417737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.417737 (E_RNA) where: Base-Base interactions energy: -33.748 where: short stacking energy: -33.748 Base-Backbone interact. energy: -0.001 local terms energy: -34.668697 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -9.221 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -111.734895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.734895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.734895 (E_RNA) where: Base-Base interactions energy: -68.722 where: short stacking energy: -31.281 Base-Backbone interact. energy: -0.000 local terms energy: -43.013005 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -9.705 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -8.602 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: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -61.797806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.797806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.797806 (E_RNA) where: Base-Base interactions energy: -25.995 where: short stacking energy: -25.995 Base-Backbone interact. energy: -0.000 local terms energy: -35.802694 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.379 flat angles C4'-P-C4' energy: -9.319 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -57.494374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.494374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.494374 (E_RNA) where: Base-Base interactions energy: -32.421 where: short stacking energy: -16.679 Base-Backbone interact. energy: -0.048 local terms energy: -25.025324 where: bonds (distance) C4'-P energy: -8.964 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -52.012570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.012570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.012570 (E_RNA) where: Base-Base interactions energy: -15.377 where: short stacking energy: -15.377 Base-Backbone interact. energy: -0.036 local terms energy: -36.599575 where: bonds (distance) C4'-P energy: -5.942 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -9.421 flat angles P-C4'-P energy: -7.603 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -55.165272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.165272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.165272 (E_RNA) where: Base-Base interactions energy: -24.849 where: short stacking energy: -24.849 Base-Backbone interact. energy: -0.027 local terms energy: -30.289129 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -62.356269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.356269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.356269 (E_RNA) where: Base-Base interactions energy: -26.321 where: short stacking energy: -26.321 Base-Backbone interact. energy: -0.003 local terms energy: -36.031958 where: bonds (distance) C4'-P energy: -8.331 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -8.271 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -119.048322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.048322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.048322 (E_RNA) where: Base-Base interactions energy: -77.920 where: short stacking energy: -35.069 Base-Backbone interact. energy: 0.685 local terms energy: -41.813973 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -9.303 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -6.731 tors. eta vs tors. theta energy: -8.878 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: 6 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -113.558060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.558060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.558060 (E_RNA) where: Base-Base interactions energy: -74.167 where: short stacking energy: -29.654 Base-Backbone interact. energy: -0.214 local terms energy: -39.177381 where: bonds (distance) C4'-P energy: -9.789 bonds (distance) P-C4' energy: -9.482 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: -5.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -116.920630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.920630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.920630 (E_RNA) where: Base-Base interactions energy: -80.316 where: short stacking energy: -30.155 Base-Backbone interact. energy: -0.175 local terms energy: -36.429870 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -8.209 flat angles C4'-P-C4' energy: -10.140 flat angles P-C4'-P energy: -1.422 tors. eta vs tors. theta energy: -6.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -58.970755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.970755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.970755 (E_RNA) where: Base-Base interactions energy: -21.755 where: short stacking energy: -21.755 Base-Backbone interact. energy: -0.033 local terms energy: -37.182581 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -8.970 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -109.050629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.050629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.050629 (E_RNA) where: Base-Base interactions energy: -67.405 where: short stacking energy: -34.111 Base-Backbone interact. energy: -0.177 local terms energy: -41.468186 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -9.596 flat angles P-C4'-P energy: -9.125 tors. eta vs tors. theta energy: -6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -65.037128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.037128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.037128 (E_RNA) where: Base-Base interactions energy: -29.797 where: short stacking energy: -14.469 Base-Backbone interact. energy: -0.009 local terms energy: -35.231065 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -1.604 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: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -58.851138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.851138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.851138 (E_RNA) where: Base-Base interactions energy: -21.014 where: short stacking energy: -20.491 Base-Backbone interact. energy: -0.074 local terms energy: -37.763443 where: bonds (distance) C4'-P energy: -8.621 bonds (distance) P-C4' energy: -7.250 flat angles C4'-P-C4' energy: -10.495 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -53.373673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.373673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.373673 (E_RNA) where: Base-Base interactions energy: -18.712 where: short stacking energy: -17.123 Base-Backbone interact. energy: 0.241 local terms energy: -34.902691 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -10.618 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -2.145 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: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -49.527470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.527470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.527470 (E_RNA) where: Base-Base interactions energy: -18.923 where: short stacking energy: -12.342 Base-Backbone interact. energy: -0.193 local terms energy: -30.411205 where: bonds (distance) C4'-P energy: -8.152 bonds (distance) P-C4' energy: -9.218 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -50.569521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.569521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.569521 (E_RNA) where: Base-Base interactions energy: -14.953 where: short stacking energy: -13.314 Base-Backbone interact. energy: -0.430 local terms energy: -35.186050 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -9.969 flat angles C4'-P-C4' energy: -9.348 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -115.855187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.855187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.855187 (E_RNA) where: Base-Base interactions energy: -71.934 where: short stacking energy: -33.024 Base-Backbone interact. energy: -0.081 local terms energy: -43.840943 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -6.158 flat angles C4'-P-C4' energy: -10.761 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: -9.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -109.606141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.606141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.606141 (E_RNA) where: Base-Base interactions energy: -69.228 where: short stacking energy: -27.462 Base-Backbone interact. energy: -0.677 local terms energy: -39.701395 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -8.753 flat angles C4'-P-C4' energy: -9.370 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -116.921841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.921841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.921841 (E_RNA) where: Base-Base interactions energy: -74.495 where: short stacking energy: -35.299 Base-Backbone interact. energy: -0.000 local terms energy: -42.426611 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -9.365 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -8.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -108.050121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.050121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.050121 (E_RNA) where: Base-Base interactions energy: -67.727 where: short stacking energy: -30.251 Base-Backbone interact. energy: -0.000 local terms energy: -40.323459 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -8.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -58.828343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.828343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.828343 (E_RNA) where: Base-Base interactions energy: -29.823 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.297 local terms energy: -28.708507 where: bonds (distance) C4'-P energy: -8.269 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -0.741 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: 211 Temperature: 1.150000 Total energy: -55.291258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.291258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.291258 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -19.482 Base-Backbone interact. energy: -0.031 local terms energy: -34.745873 where: bonds (distance) C4'-P energy: -6.671 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -56.046485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.046485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.046485 (E_RNA) where: Base-Base interactions energy: -23.604 where: short stacking energy: -15.856 Base-Backbone interact. energy: -0.000 local terms energy: -32.442349 where: bonds (distance) C4'-P energy: -8.025 bonds (distance) P-C4' energy: -9.383 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -0.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -55.193070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.193070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.193070 (E_RNA) where: Base-Base interactions energy: -16.124 where: short stacking energy: -16.124 Base-Backbone interact. energy: -0.105 local terms energy: -38.963618 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -9.272 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -52.353879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.353879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.353879 (E_RNA) where: Base-Base interactions energy: -29.134 where: short stacking energy: -21.461 Base-Backbone interact. energy: -0.004 local terms energy: -23.215595 where: bonds (distance) C4'-P energy: -3.988 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -9.291 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: 0.627 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: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -53.219425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.219425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.219425 (E_RNA) where: Base-Base interactions energy: -22.174 where: short stacking energy: -20.735 Base-Backbone interact. energy: -0.001 local terms energy: -31.044812 where: bonds (distance) C4'-P energy: -1.955 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -10.566 flat angles P-C4'-P energy: -2.064 tors. eta vs tors. theta energy: -7.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -113.082417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.082417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.082417 (E_RNA) where: Base-Base interactions energy: -71.108 where: short stacking energy: -33.417 Base-Backbone interact. energy: -0.099 local terms energy: -41.875284 where: bonds (distance) C4'-P energy: -8.199 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -9.726 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -10.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -112.702258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.702258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.702258 (E_RNA) where: Base-Base interactions energy: -71.126 where: short stacking energy: -30.022 Base-Backbone interact. energy: -1.144 local terms energy: -40.431307 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -111.469090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.469090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.469090 (E_RNA) where: Base-Base interactions energy: -80.222 where: short stacking energy: -33.554 Base-Backbone interact. energy: -0.006 local terms energy: -31.241357 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -6.362 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -118.688556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.688556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.688556 (E_RNA) where: Base-Base interactions energy: -82.970 where: short stacking energy: -35.305 Base-Backbone interact. energy: -0.006 local terms energy: -35.712480 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -0.374 tors. eta vs tors. theta energy: -9.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -60.610261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.610261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.610261 (E_RNA) where: Base-Base interactions energy: -21.277 where: short stacking energy: -21.277 Base-Backbone interact. energy: -0.066 local terms energy: -39.267157 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -9.561 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -71.247094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.247094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.247094 (E_RNA) where: Base-Base interactions energy: -31.513 where: short stacking energy: -31.513 Base-Backbone interact. energy: -0.000 local terms energy: -39.733516 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -9.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -53.174433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.174433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.174433 (E_RNA) where: Base-Base interactions energy: -19.426 where: short stacking energy: -19.426 Base-Backbone interact. energy: -0.163 local terms energy: -33.584646 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -9.718 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -49.365638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.365638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.365638 (E_RNA) where: Base-Base interactions energy: -21.749 where: short stacking energy: -21.749 Base-Backbone interact. energy: -0.167 local terms energy: -27.449135 where: bonds (distance) C4'-P energy: -8.471 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: 0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -46.234244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.234244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.234244 (E_RNA) where: Base-Base interactions energy: -14.543 where: short stacking energy: -14.543 Base-Backbone interact. energy: -0.172 local terms energy: -31.518741 where: bonds (distance) C4'-P energy: -8.074 bonds (distance) P-C4' energy: -7.322 flat angles C4'-P-C4' energy: -9.404 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -55.037571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.037571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.037571 (E_RNA) where: Base-Base interactions energy: -26.820 where: short stacking energy: -24.399 Base-Backbone interact. energy: -0.663 local terms energy: -27.554723 where: bonds (distance) C4'-P energy: -4.467 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -1.897 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: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -116.063095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.063095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.063095 (E_RNA) where: Base-Base interactions energy: -74.500 where: short stacking energy: -29.971 Base-Backbone interact. energy: -0.074 local terms energy: -41.488727 where: bonds (distance) C4'-P energy: -8.525 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -9.825 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -8.980 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: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -116.540191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.540191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.540191 (E_RNA) where: Base-Base interactions energy: -75.152 where: short stacking energy: -34.132 Base-Backbone interact. energy: -0.000 local terms energy: -41.387579 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -10.172 flat angles C4'-P-C4' energy: -8.680 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -109.364288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.364288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.364288 (E_RNA) where: Base-Base interactions energy: -64.958 where: short stacking energy: -30.754 Base-Backbone interact. energy: -0.908 local terms energy: -43.497909 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -10.326 flat angles C4'-P-C4' energy: -9.424 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -62.923685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.923685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.923685 (E_RNA) where: Base-Base interactions energy: -28.778 where: short stacking energy: -23.996 Base-Backbone interact. energy: -0.095 local terms energy: -34.050132 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -108.172240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.172240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.172240 (E_RNA) where: Base-Base interactions energy: -66.960 where: short stacking energy: -30.947 Base-Backbone interact. energy: -0.354 local terms energy: -40.857732 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -9.972 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -8.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -57.164655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.164655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.164655 (E_RNA) where: Base-Base interactions energy: -28.107 where: short stacking energy: -9.806 Base-Backbone interact. energy: -0.223 local terms energy: -28.833815 where: bonds (distance) C4'-P energy: -6.555 bonds (distance) P-C4' energy: -9.907 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -63.523003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.523003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.523003 (E_RNA) where: Base-Base interactions energy: -38.959 where: short stacking energy: -16.568 Base-Backbone interact. energy: -0.227 local terms energy: -24.337215 where: bonds (distance) C4'-P energy: -2.584 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -0.739 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: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -57.748704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.748704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.748704 (E_RNA) where: Base-Base interactions energy: -21.266 where: short stacking energy: -21.266 Base-Backbone interact. energy: -0.003 local terms energy: -36.479089 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -47.329352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.329352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.329352 (E_RNA) where: Base-Base interactions energy: -17.556 where: short stacking energy: -17.556 Base-Backbone interact. energy: -0.061 local terms energy: -29.711823 where: bonds (distance) C4'-P energy: -9.387 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: 0.058 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -47.336058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.336058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.336058 (E_RNA) where: Base-Base interactions energy: -19.005 where: short stacking energy: -15.559 Base-Backbone interact. energy: -0.059 local terms energy: -28.272363 where: bonds (distance) C4'-P energy: -8.190 bonds (distance) P-C4' energy: -9.186 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -0.768 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: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -117.162351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.162351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.162351 (E_RNA) where: Base-Base interactions energy: -72.400 where: short stacking energy: -36.510 Base-Backbone interact. energy: -0.092 local terms energy: -44.670809 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -9.830 flat angles C4'-P-C4' energy: -9.677 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: -7.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -107.407500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.407500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.407500 (E_RNA) where: Base-Base interactions energy: -67.590 where: short stacking energy: -23.965 Base-Backbone interact. energy: -1.289 local terms energy: -38.527915 where: bonds (distance) C4'-P energy: -7.440 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -111.654047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.654047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.654047 (E_RNA) where: Base-Base interactions energy: -74.434 where: short stacking energy: -30.628 Base-Backbone interact. energy: -0.310 local terms energy: -36.910296 where: bonds (distance) C4'-P energy: -8.848 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -66.709484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.709484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.709484 (E_RNA) where: Base-Base interactions energy: -25.486 where: short stacking energy: -25.486 Base-Backbone interact. energy: -0.000 local terms energy: -41.223437 where: bonds (distance) C4'-P energy: -6.977 bonds (distance) P-C4' energy: -8.787 flat angles C4'-P-C4' energy: -9.921 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -8.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -111.543659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.543659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.543659 (E_RNA) where: Base-Base interactions energy: -70.940 where: short stacking energy: -32.100 Base-Backbone interact. energy: 1.049 local terms energy: -41.652497 where: bonds (distance) C4'-P energy: -7.519 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -8.379 flat angles P-C4'-P energy: -6.492 tors. eta vs tors. theta energy: -9.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -65.639974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.639974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.639974 (E_RNA) where: Base-Base interactions energy: -37.723 where: short stacking energy: -14.561 Base-Backbone interact. energy: 0.500 local terms energy: -28.416373 where: bonds (distance) C4'-P energy: -3.884 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -1.654 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -55.370367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.370367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.370367 (E_RNA) where: Base-Base interactions energy: -26.578 where: short stacking energy: -26.540 Base-Backbone interact. energy: -0.125 local terms energy: -28.667713 where: bonds (distance) C4'-P energy: -3.056 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -54.723809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.723809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.723809 (E_RNA) where: Base-Base interactions energy: -22.220 where: short stacking energy: -20.371 Base-Backbone interact. energy: -0.048 local terms energy: -32.456262 where: bonds (distance) C4'-P energy: -7.771 bonds (distance) P-C4' energy: -8.266 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -52.310413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.310413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.310413 (E_RNA) where: Base-Base interactions energy: -19.557 where: short stacking energy: -19.557 Base-Backbone interact. energy: -0.075 local terms energy: -32.678126 where: bonds (distance) C4'-P energy: -8.542 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -56.294371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.294371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.294371 (E_RNA) where: Base-Base interactions energy: -22.229 where: short stacking energy: -17.390 Base-Backbone interact. energy: -0.001 local terms energy: -34.064453 where: bonds (distance) C4'-P energy: -7.346 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -9.837 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -115.756017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.756017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.756017 (E_RNA) where: Base-Base interactions energy: -79.384 where: short stacking energy: -33.567 Base-Backbone interact. energy: -0.020 local terms energy: -36.352286 where: bonds (distance) C4'-P energy: -7.673 bonds (distance) P-C4' energy: -8.960 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -1.021 tors. eta vs tors. theta energy: -10.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -115.169283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.169283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.169283 (E_RNA) where: Base-Base interactions energy: -76.309 where: short stacking energy: -30.586 Base-Backbone interact. energy: -0.002 local terms energy: -38.858308 where: bonds (distance) C4'-P energy: -7.705 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -9.891 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -8.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -117.382921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.382921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.382921 (E_RNA) where: Base-Base interactions energy: -81.831 where: short stacking energy: -34.762 Base-Backbone interact. energy: -0.003 local terms energy: -35.549341 where: bonds (distance) C4'-P energy: -6.191 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -8.913 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: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -117.854932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.854932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.854932 (E_RNA) where: Base-Base interactions energy: -77.777 where: short stacking energy: -35.036 Base-Backbone interact. energy: -0.009 local terms energy: -40.068966 where: bonds (distance) C4'-P energy: -8.335 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -10.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -51.108106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.108106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.108106 (E_RNA) where: Base-Base interactions energy: -16.632 where: short stacking energy: -12.407 Base-Backbone interact. energy: -0.182 local terms energy: -34.294712 where: bonds (distance) C4'-P energy: -8.808 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -68.967901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.967901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.967901 (E_RNA) where: Base-Base interactions energy: -31.288 where: short stacking energy: -25.447 Base-Backbone interact. energy: -0.049 local terms energy: -37.630244 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -58.622473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.622473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.622473 (E_RNA) where: Base-Base interactions energy: -22.567 where: short stacking energy: -22.567 Base-Backbone interact. energy: -0.094 local terms energy: -35.960810 where: bonds (distance) C4'-P energy: -7.913 bonds (distance) P-C4' energy: -9.333 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -7.284 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -57.420289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.420289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.420289 (E_RNA) where: Base-Base interactions energy: -21.450 where: short stacking energy: -21.450 Base-Backbone interact. energy: -0.001 local terms energy: -35.969044 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -6.887 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -6.285 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: 9, replica: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -51.902330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.902330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.902330 (E_RNA) where: Base-Base interactions energy: -18.058 where: short stacking energy: -12.618 Base-Backbone interact. energy: -0.100 local terms energy: -33.744587 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -48.548262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.548262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.548262 (E_RNA) where: Base-Base interactions energy: -16.846 where: short stacking energy: -16.846 Base-Backbone interact. energy: -0.427 local terms energy: -31.275368 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -7.567 flat angles C4'-P-C4' energy: -10.018 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -1.783 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: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -113.396617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.396617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.396617 (E_RNA) where: Base-Base interactions energy: -72.741 where: short stacking energy: -28.327 Base-Backbone interact. energy: -0.060 local terms energy: -40.595475 where: bonds (distance) C4'-P energy: -8.819 bonds (distance) P-C4' energy: -8.446 flat angles C4'-P-C4' energy: -8.242 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -7.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -112.203319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.203319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.203319 (E_RNA) where: Base-Base interactions energy: -71.403 where: short stacking energy: -30.022 Base-Backbone interact. energy: -0.187 local terms energy: -40.613705 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -9.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -114.962875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.962875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.962875 (E_RNA) where: Base-Base interactions energy: -76.389 where: short stacking energy: -31.542 Base-Backbone interact. energy: -0.000 local terms energy: -38.573932 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -11.597 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -6.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -113.591868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.591868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.591868 (E_RNA) where: Base-Base interactions energy: -73.789 where: short stacking energy: -27.661 Base-Backbone interact. energy: -0.349 local terms energy: -39.453729 where: bonds (distance) C4'-P energy: -9.312 bonds (distance) P-C4' energy: -10.172 flat angles C4'-P-C4' energy: -10.086 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -64.579792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.579792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.579792 (E_RNA) where: Base-Base interactions energy: -26.216 where: short stacking energy: -26.416 Base-Backbone interact. energy: -0.001 local terms energy: -38.362996 where: bonds (distance) C4'-P energy: -8.609 bonds (distance) P-C4' energy: -9.647 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -5.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -58.964283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.964283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.964283 (E_RNA) where: Base-Base interactions energy: -22.869 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.018 local terms energy: -36.076837 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -53.940422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.940422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.940422 (E_RNA) where: Base-Base interactions energy: -17.329 where: short stacking energy: -8.798 Base-Backbone interact. energy: -0.670 local terms energy: -35.941815 where: bonds (distance) C4'-P energy: -8.526 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -3.156 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: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -59.037007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.037007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.037007 (E_RNA) where: Base-Base interactions energy: -18.367 where: short stacking energy: -18.367 Base-Backbone interact. energy: -0.055 local terms energy: -40.615225 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -9.381 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -46.832679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.832679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.832679 (E_RNA) where: Base-Base interactions energy: -17.537 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.336 local terms energy: -28.959764 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -1.881 tors. eta vs tors. theta energy: -1.249 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: 3 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -49.893327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.893327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.893327 (E_RNA) where: Base-Base interactions energy: -15.730 where: short stacking energy: -14.664 Base-Backbone interact. energy: -0.257 local terms energy: -33.906021 where: bonds (distance) C4'-P energy: -9.945 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -3.382 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: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -121.334604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.334604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.334604 (E_RNA) where: Base-Base interactions energy: -73.297 where: short stacking energy: -32.834 Base-Backbone interact. energy: -0.022 local terms energy: -48.016177 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -9.583 flat angles P-C4'-P energy: -8.778 tors. eta vs tors. theta energy: -9.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -115.084662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.084662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.084662 (E_RNA) where: Base-Base interactions energy: -74.098 where: short stacking energy: -35.760 Base-Backbone interact. energy: -0.006 local terms energy: -40.981041 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -8.365 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -111.054868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.054868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.054868 (E_RNA) where: Base-Base interactions energy: -85.387 where: short stacking energy: -27.498 Base-Backbone interact. energy: -0.128 local terms energy: -25.540337 where: bonds (distance) C4'-P energy: -7.566 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -0.286 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -115.896663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.896663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.896663 (E_RNA) where: Base-Base interactions energy: -72.134 where: short stacking energy: -31.521 Base-Backbone interact. energy: -0.460 local terms energy: -43.302194 where: bonds (distance) C4'-P energy: -7.627 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -11.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -58.939128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.939128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.939128 (E_RNA) where: Base-Base interactions energy: -23.602 where: short stacking energy: -22.720 Base-Backbone interact. energy: 0.568 local terms energy: -35.905052 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -73.850998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.850998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.850998 (E_RNA) where: Base-Base interactions energy: -31.930 where: short stacking energy: -31.930 Base-Backbone interact. energy: -0.011 local terms energy: -41.909795 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -9.538 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -9.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -55.329842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.329842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.329842 (E_RNA) where: Base-Base interactions energy: -18.866 where: short stacking energy: -18.866 Base-Backbone interact. energy: -0.083 local terms energy: -36.381499 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -9.013 flat angles C4'-P-C4' energy: -9.145 flat angles P-C4'-P energy: -7.168 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -56.953901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.953901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.953901 (E_RNA) where: Base-Base interactions energy: -24.855 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.051 local terms energy: -32.048172 where: bonds (distance) C4'-P energy: -8.802 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -46.300081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.300081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.300081 (E_RNA) where: Base-Base interactions energy: -19.453 where: short stacking energy: -15.982 Base-Backbone interact. energy: -0.257 local terms energy: -26.590123 where: bonds (distance) C4'-P energy: -6.911 bonds (distance) P-C4' energy: -9.510 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -1.708 tors. eta vs tors. theta energy: 0.169 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: 3 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -44.799015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.799015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.799015 (E_RNA) where: Base-Base interactions energy: -18.844 where: short stacking energy: -18.129 Base-Backbone interact. energy: -0.068 local terms energy: -25.887311 where: bonds (distance) C4'-P energy: -5.321 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -120.243934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.243934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.243934 (E_RNA) where: Base-Base interactions energy: -75.307 where: short stacking energy: -35.353 Base-Backbone interact. energy: -0.058 local terms energy: -44.879217 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -9.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -114.077931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.077931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.077931 (E_RNA) where: Base-Base interactions energy: -75.887 where: short stacking energy: -29.331 Base-Backbone interact. energy: -0.653 local terms energy: -37.537718 where: bonds (distance) C4'-P energy: -9.296 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -111.108698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.108698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.108698 (E_RNA) where: Base-Base interactions energy: -79.934 where: short stacking energy: -28.121 Base-Backbone interact. energy: -0.041 local terms energy: -31.133270 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -8.935 flat angles C4'-P-C4' energy: -3.112 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -2.978 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: 4, replica: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -106.860078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.860078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.860078 (E_RNA) where: Base-Base interactions energy: -72.771 where: short stacking energy: -30.304 Base-Backbone interact. energy: 0.413 local terms energy: -34.502419 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -7.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -81.946090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.946090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.946090 (E_RNA) where: Base-Base interactions energy: -48.297 where: short stacking energy: -21.625 Base-Backbone interact. energy: -0.007 local terms energy: -33.642238 where: bonds (distance) C4'-P energy: -7.329 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -6.426 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -56.340391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.340391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.340391 (E_RNA) where: Base-Base interactions energy: -29.394 where: short stacking energy: -17.081 Base-Backbone interact. energy: -0.072 local terms energy: -26.874844 where: bonds (distance) C4'-P energy: -8.405 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: 1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -49.169566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.169566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.169566 (E_RNA) where: Base-Base interactions energy: -12.383 where: short stacking energy: -12.383 Base-Backbone interact. energy: -0.102 local terms energy: -36.684672 where: bonds (distance) C4'-P energy: -8.430 bonds (distance) P-C4' energy: -10.634 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -53.189997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.189997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.189997 (E_RNA) where: Base-Base interactions energy: -17.660 where: short stacking energy: -17.660 Base-Backbone interact. energy: -0.113 local terms energy: -35.417429 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -47.065986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.065986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.065986 (E_RNA) where: Base-Base interactions energy: -17.443 where: short stacking energy: -11.769 Base-Backbone interact. energy: 0.217 local terms energy: -29.839825 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -59.131090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.131090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.131090 (E_RNA) where: Base-Base interactions energy: -26.080 where: short stacking energy: -18.342 Base-Backbone interact. energy: -0.102 local terms energy: -32.949368 where: bonds (distance) C4'-P energy: -8.811 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -4.728 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: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -121.536166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.536166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.536166 (E_RNA) where: Base-Base interactions energy: -83.756 where: short stacking energy: -30.764 Base-Backbone interact. energy: -0.010 local terms energy: -37.769870 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -8.420 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -9.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -108.385311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.385311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.385311 (E_RNA) where: Base-Base interactions energy: -68.436 where: short stacking energy: -26.418 Base-Backbone interact. energy: -0.035 local terms energy: -39.914071 where: bonds (distance) C4'-P energy: -8.852 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -9.885 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -8.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -110.208282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.208282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.208282 (E_RNA) where: Base-Base interactions energy: -67.713 where: short stacking energy: -29.553 Base-Backbone interact. energy: -0.604 local terms energy: -41.891182 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.911 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -10.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -116.227079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.227079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.227079 (E_RNA) where: Base-Base interactions energy: -79.815 where: short stacking energy: -30.218 Base-Backbone interact. energy: -0.007 local terms energy: -36.405051 where: bonds (distance) C4'-P energy: -8.459 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -8.333 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: 219 Temperature: 1.100000 Total energy: -101.664648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.664648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.664648 (E_RNA) where: Base-Base interactions energy: -61.041 where: short stacking energy: -30.589 Base-Backbone interact. energy: -0.006 local terms energy: -40.618165 where: bonds (distance) C4'-P energy: -9.105 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -51.431176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.431176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.431176 (E_RNA) where: Base-Base interactions energy: -18.912 where: short stacking energy: -18.912 Base-Backbone interact. energy: 0.803 local terms energy: -33.321904 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -8.884 flat angles C4'-P-C4' energy: -8.959 flat angles P-C4'-P energy: -6.640 tors. eta vs tors. theta energy: -1.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -67.603844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.603844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.603844 (E_RNA) where: Base-Base interactions energy: -35.199 where: short stacking energy: -26.154 Base-Backbone interact. energy: 0.231 local terms energy: -32.635689 where: bonds (distance) C4'-P energy: -5.525 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -52.410030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.410030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.410030 (E_RNA) where: Base-Base interactions energy: -17.386 where: short stacking energy: -17.386 Base-Backbone interact. energy: -0.025 local terms energy: -34.999449 where: bonds (distance) C4'-P energy: -9.059 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -49.699680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.699680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.699680 (E_RNA) where: Base-Base interactions energy: -23.212 where: short stacking energy: -17.887 Base-Backbone interact. energy: -0.157 local terms energy: -26.330648 where: bonds (distance) C4'-P energy: -8.500 bonds (distance) P-C4' energy: -7.360 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: 1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -50.561251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.561251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.561251 (E_RNA) where: Base-Base interactions energy: -15.972 where: short stacking energy: -13.159 Base-Backbone interact. energy: -0.065 local terms energy: -34.524578 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -8.914 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -117.532557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.532557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.532557 (E_RNA) where: Base-Base interactions energy: -74.227 where: short stacking energy: -29.189 Base-Backbone interact. energy: -0.001 local terms energy: -43.304483 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -9.186 flat angles P-C4'-P energy: -7.722 tors. eta vs tors. theta energy: -9.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -114.975713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.975713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.975713 (E_RNA) where: Base-Base interactions energy: -78.725 where: short stacking energy: -31.957 Base-Backbone interact. energy: -0.022 local terms energy: -36.227930 where: bonds (distance) C4'-P energy: -8.260 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -7.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -109.599466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.599466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.599466 (E_RNA) where: Base-Base interactions energy: -76.651 where: short stacking energy: -27.886 Base-Backbone interact. energy: -0.005 local terms energy: -32.944369 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -8.410 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -7.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -104.814117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.814117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.814117 (E_RNA) where: Base-Base interactions energy: -68.486 where: short stacking energy: -27.060 Base-Backbone interact. energy: -0.175 local terms energy: -36.152979 where: bonds (distance) C4'-P energy: -6.066 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -8.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -105.768995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.768995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.768995 (E_RNA) where: Base-Base interactions energy: -65.517 where: short stacking energy: -29.443 Base-Backbone interact. energy: -1.458 local terms energy: -38.793832 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -9.604 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -5.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -62.672488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.672488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.672488 (E_RNA) where: Base-Base interactions energy: -24.116 where: short stacking energy: -24.116 Base-Backbone interact. energy: -0.000 local terms energy: -38.556434 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -10.863 flat angles C4'-P-C4' energy: -10.089 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -7.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -59.634170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.634170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.634170 (E_RNA) where: Base-Base interactions energy: -30.743 where: short stacking energy: -21.305 Base-Backbone interact. energy: -0.011 local terms energy: -28.879624 where: bonds (distance) C4'-P energy: -3.205 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -50.242537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.242537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.242537 (E_RNA) where: Base-Base interactions energy: -18.094 where: short stacking energy: -18.094 Base-Backbone interact. energy: -0.248 local terms energy: -31.900699 where: bonds (distance) C4'-P energy: -6.881 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -57.813149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.813149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.813149 (E_RNA) where: Base-Base interactions energy: -28.826 where: short stacking energy: -18.738 Base-Backbone interact. energy: -1.077 local terms energy: -27.910388 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -8.524 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -49.713413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.713413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.713413 (E_RNA) where: Base-Base interactions energy: -19.184 where: short stacking energy: -19.184 Base-Backbone interact. energy: -0.000 local terms energy: -30.529038 where: bonds (distance) C4'-P energy: -8.976 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -1.022 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -114.102097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.102097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.102097 (E_RNA) where: Base-Base interactions energy: -71.558 where: short stacking energy: -32.590 Base-Backbone interact. energy: 0.568 local terms energy: -43.112639 where: bonds (distance) C4'-P energy: -7.673 bonds (distance) P-C4' energy: -9.569 flat angles C4'-P-C4' energy: -9.596 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -8.560 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: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -114.987270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.987270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.987270 (E_RNA) where: Base-Base interactions energy: -72.797 where: short stacking energy: -31.726 Base-Backbone interact. energy: -1.121 local terms energy: -41.069125 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -10.131 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -7.887 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -114.866562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.866562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.866562 (E_RNA) where: Base-Base interactions energy: -82.639 where: short stacking energy: -31.292 Base-Backbone interact. energy: -0.122 local terms energy: -32.105893 where: bonds (distance) C4'-P energy: -8.910 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -103.137872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.137872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.137872 (E_RNA) where: Base-Base interactions energy: -64.719 where: short stacking energy: -25.253 Base-Backbone interact. energy: -0.108 local terms energy: -38.310149 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -9.513 flat angles C4'-P-C4' energy: -9.419 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: -4.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -102.710728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.710728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.710728 (E_RNA) where: Base-Base interactions energy: -66.530 where: short stacking energy: -29.247 Base-Backbone interact. energy: -0.012 local terms energy: -36.169189 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -7.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -72.050619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.050619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.050619 (E_RNA) where: Base-Base interactions energy: -36.754 where: short stacking energy: -20.971 Base-Backbone interact. energy: 0.361 local terms energy: -35.657211 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -56.837481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.837481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.837481 (E_RNA) where: Base-Base interactions energy: -22.160 where: short stacking energy: -22.160 Base-Backbone interact. energy: -0.002 local terms energy: -34.675811 where: bonds (distance) C4'-P energy: -7.578 bonds (distance) P-C4' energy: -9.281 flat angles C4'-P-C4' energy: -8.969 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -52.506469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.506469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.506469 (E_RNA) where: Base-Base interactions energy: -24.674 where: short stacking energy: -18.234 Base-Backbone interact. energy: -0.085 local terms energy: -27.747344 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -55.755996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.755996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.755996 (E_RNA) where: Base-Base interactions energy: -23.497 where: short stacking energy: -20.218 Base-Backbone interact. energy: -0.009 local terms energy: -32.250009 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -50.033378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.033378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.033378 (E_RNA) where: Base-Base interactions energy: -20.449 where: short stacking energy: -19.013 Base-Backbone interact. energy: -0.022 local terms energy: -29.561818 where: bonds (distance) C4'-P energy: -6.344 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -7.206 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -127.193172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.193172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.193172 (E_RNA) where: Base-Base interactions energy: -81.839 where: short stacking energy: -31.034 Base-Backbone interact. energy: -0.000 local terms energy: -45.354040 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -10.106 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -9.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -108.084730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.084730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.084730 (E_RNA) where: Base-Base interactions energy: -67.192 where: short stacking energy: -27.199 Base-Backbone interact. energy: -0.027 local terms energy: -40.866337 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -9.965 flat angles C4'-P-C4' energy: -9.037 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -114.476419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.476419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.476419 (E_RNA) where: Base-Base interactions energy: -83.079 where: short stacking energy: -29.700 Base-Backbone interact. energy: -0.010 local terms energy: -31.388157 where: bonds (distance) C4'-P energy: -8.467 bonds (distance) P-C4' energy: -9.729 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -111.594125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.594125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.594125 (E_RNA) where: Base-Base interactions energy: -67.205 where: short stacking energy: -27.222 Base-Backbone interact. energy: -0.039 local terms energy: -44.349664 where: bonds (distance) C4'-P energy: -9.150 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -9.827 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -8.929 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: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -59.761374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.761374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.761374 (E_RNA) where: Base-Base interactions energy: -20.425 where: short stacking energy: -20.425 Base-Backbone interact. energy: -0.007 local terms energy: -39.329050 where: bonds (distance) C4'-P energy: -8.020 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -6.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -90.316402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.316402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.316402 (E_RNA) where: Base-Base interactions energy: -57.139 where: short stacking energy: -19.415 Base-Backbone interact. energy: -0.745 local terms energy: -32.432162 where: bonds (distance) C4'-P energy: -5.649 bonds (distance) P-C4' energy: -10.098 flat angles C4'-P-C4' energy: -9.284 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -0.871 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: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -55.353193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.353193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.353193 (E_RNA) where: Base-Base interactions energy: -22.960 where: short stacking energy: -22.478 Base-Backbone interact. energy: -0.004 local terms energy: -32.389395 where: bonds (distance) C4'-P energy: -3.938 bonds (distance) P-C4' energy: -9.253 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -7.507 tors. eta vs tors. theta energy: -6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -55.643270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.643270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.643270 (E_RNA) where: Base-Base interactions energy: -23.143 where: short stacking energy: -22.994 Base-Backbone interact. energy: -0.001 local terms energy: -32.499987 where: bonds (distance) C4'-P energy: -5.590 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -3.321 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: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -55.841097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.841097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.841097 (E_RNA) where: Base-Base interactions energy: -25.074 where: short stacking energy: -10.414 Base-Backbone interact. energy: -0.063 local terms energy: -30.703938 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -9.616 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -51.097743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.097743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.097743 (E_RNA) where: Base-Base interactions energy: -17.238 where: short stacking energy: -17.238 Base-Backbone interact. energy: -0.108 local terms energy: -33.750909 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -9.478 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -123.044941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.044941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.044941 (E_RNA) where: Base-Base interactions energy: -80.905 where: short stacking energy: -35.447 Base-Backbone interact. energy: -0.000 local terms energy: -42.140360 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -8.860 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -10.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -119.119266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.119266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.119266 (E_RNA) where: Base-Base interactions energy: -81.268 where: short stacking energy: -31.362 Base-Backbone interact. energy: -1.002 local terms energy: -36.849713 where: bonds (distance) C4'-P energy: -6.931 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -7.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -107.091669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.091669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.091669 (E_RNA) where: Base-Base interactions energy: -67.790 where: short stacking energy: -23.681 Base-Backbone interact. energy: -0.012 local terms energy: -39.289116 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -9.262 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -6.212 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: 223 Temperature: 1.050000 Total energy: -108.162692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.162692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.162692 (E_RNA) where: Base-Base interactions energy: -70.473 where: short stacking energy: -26.891 Base-Backbone interact. energy: 0.059 local terms energy: -37.749293 where: bonds (distance) C4'-P energy: -8.849 bonds (distance) P-C4' energy: -7.067 flat angles C4'-P-C4' energy: -9.841 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -63.264989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.264989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.264989 (E_RNA) where: Base-Base interactions energy: -25.872 where: short stacking energy: -25.872 Base-Backbone interact. energy: -0.002 local terms energy: -37.390778 where: bonds (distance) C4'-P energy: -8.501 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -78.826132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.826132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.826132 (E_RNA) where: Base-Base interactions energy: -46.857 where: short stacking energy: -23.277 Base-Backbone interact. energy: -0.002 local terms energy: -31.967679 where: bonds (distance) C4'-P energy: -3.134 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -8.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -56.187731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.187731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.187731 (E_RNA) where: Base-Base interactions energy: -24.450 where: short stacking energy: -21.015 Base-Backbone interact. energy: -0.001 local terms energy: -31.736778 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -8.753 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -60.049506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.049506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.049506 (E_RNA) where: Base-Base interactions energy: -24.131 where: short stacking energy: -13.638 Base-Backbone interact. energy: -0.495 local terms energy: -35.423204 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -8.959 flat angles C4'-P-C4' energy: -9.472 flat angles P-C4'-P energy: -8.071 tors. eta vs tors. theta energy: -0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -47.821798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.821798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.821798 (E_RNA) where: Base-Base interactions energy: -19.916 where: short stacking energy: -19.916 Base-Backbone interact. energy: -0.008 local terms energy: -27.897708 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -9.651 flat angles C4'-P-C4' energy: -2.367 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -48.206419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.206419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.206419 (E_RNA) where: Base-Base interactions energy: -21.338 where: short stacking energy: -21.338 Base-Backbone interact. energy: -0.009 local terms energy: -26.858977 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -8.031 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -121.045502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.045502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.045502 (E_RNA) where: Base-Base interactions energy: -85.819 where: short stacking energy: -36.897 Base-Backbone interact. energy: -0.586 local terms energy: -34.640885 where: bonds (distance) C4'-P energy: -7.089 bonds (distance) P-C4' energy: -8.525 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -1.717 tors. eta vs tors. theta energy: -11.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -112.379217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.379217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.379217 (E_RNA) where: Base-Base interactions energy: -68.434 where: short stacking energy: -28.316 Base-Backbone interact. energy: -0.831 local terms energy: -43.114350 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -8.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -108.678925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.678925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.678925 (E_RNA) where: Base-Base interactions energy: -70.201 where: short stacking energy: -25.469 Base-Backbone interact. energy: -0.441 local terms energy: -38.036826 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -8.473 flat angles C4'-P-C4' energy: -9.074 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -6.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -114.596796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.596796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.596796 (E_RNA) where: Base-Base interactions energy: -71.831 where: short stacking energy: -32.145 Base-Backbone interact. energy: -0.075 local terms energy: -42.690379 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -9.447 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -10.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -101.171261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.171261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.171261 (E_RNA) where: Base-Base interactions energy: -65.527 where: short stacking energy: -23.672 Base-Backbone interact. energy: -0.037 local terms energy: -35.607327 where: bonds (distance) C4'-P energy: -8.331 bonds (distance) P-C4' energy: -9.905 flat angles C4'-P-C4' energy: -9.918 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -3.550 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: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -63.552616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.552616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.552616 (E_RNA) where: Base-Base interactions energy: -29.977 where: short stacking energy: -29.853 Base-Backbone interact. energy: -0.000 local terms energy: -33.575164 where: bonds (distance) C4'-P energy: -3.507 bonds (distance) P-C4' energy: -6.415 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -7.786 tors. eta vs tors. theta energy: -8.986 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: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -52.837923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.837923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.837923 (E_RNA) where: Base-Base interactions energy: -15.996 where: short stacking energy: -15.996 Base-Backbone interact. energy: -0.016 local terms energy: -36.826000 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -61.003991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.003991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.003991 (E_RNA) where: Base-Base interactions energy: -29.725 where: short stacking energy: -16.759 Base-Backbone interact. energy: -0.969 local terms energy: -30.309515 where: bonds (distance) C4'-P energy: -6.092 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -51.946004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.946004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.946004 (E_RNA) where: Base-Base interactions energy: -18.195 where: short stacking energy: -18.195 Base-Backbone interact. energy: -0.034 local terms energy: -33.716779 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -9.510 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -2.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -44.924049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.924049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.924049 (E_RNA) where: Base-Base interactions energy: -19.187 where: short stacking energy: -18.029 Base-Backbone interact. energy: -0.202 local terms energy: -25.534992 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -8.824 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: 2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -122.367083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.367083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.367083 (E_RNA) where: Base-Base interactions energy: -84.092 where: short stacking energy: -37.572 Base-Backbone interact. energy: -0.060 local terms energy: -38.215236 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -8.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -115.174385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.174385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.174385 (E_RNA) where: Base-Base interactions energy: -81.753 where: short stacking energy: -29.334 Base-Backbone interact. energy: -0.009 local terms energy: -33.413010 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: 0.351 tors. eta vs tors. theta energy: -9.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -124.228996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.228996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.228996 (E_RNA) where: Base-Base interactions energy: -84.349 where: short stacking energy: -34.867 Base-Backbone interact. energy: -0.000 local terms energy: -39.879771 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -7.687 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -8.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -107.566303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.566303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.566303 (E_RNA) where: Base-Base interactions energy: -73.748 where: short stacking energy: -31.498 Base-Backbone interact. energy: -0.438 local terms energy: -33.380508 where: bonds (distance) C4'-P energy: -6.310 bonds (distance) P-C4' energy: -8.460 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -7.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -105.690216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.690216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.690216 (E_RNA) where: Base-Base interactions energy: -66.458 where: short stacking energy: -27.479 Base-Backbone interact. energy: -0.565 local terms energy: -38.667204 where: bonds (distance) C4'-P energy: -7.826 bonds (distance) P-C4' energy: -10.588 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -8.383 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -58.556129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.556129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.556129 (E_RNA) where: Base-Base interactions energy: -21.857 where: short stacking energy: -18.201 Base-Backbone interact. energy: -0.021 local terms energy: -36.677919 where: bonds (distance) C4'-P energy: -7.491 bonds (distance) P-C4' energy: -10.053 flat angles C4'-P-C4' energy: -8.880 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -52.914452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.914452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.914452 (E_RNA) where: Base-Base interactions energy: -18.075 where: short stacking energy: -18.075 Base-Backbone interact. energy: -0.008 local terms energy: -34.831387 where: bonds (distance) C4'-P energy: -6.907 bonds (distance) P-C4' energy: -8.966 flat angles C4'-P-C4' energy: -8.398 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -54.948236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.948236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.948236 (E_RNA) where: Base-Base interactions energy: -22.483 where: short stacking energy: -19.512 Base-Backbone interact. energy: -0.256 local terms energy: -32.210082 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -9.608 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -43.866609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.866609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.866609 (E_RNA) where: Base-Base interactions energy: -17.254 where: short stacking energy: -17.254 Base-Backbone interact. energy: -1.978 local terms energy: -24.635451 where: bonds (distance) C4'-P energy: -8.356 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -3.242 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -53.942479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.942479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.942479 (E_RNA) where: Base-Base interactions energy: -29.261 where: short stacking energy: -10.213 Base-Backbone interact. energy: -0.096 local terms energy: -24.585583 where: bonds (distance) C4'-P energy: -5.950 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -1.003 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: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -122.214236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.214236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.214236 (E_RNA) where: Base-Base interactions energy: -87.115 where: short stacking energy: -32.858 Base-Backbone interact. energy: -0.023 local terms energy: -35.077023 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -1.146 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -126.773546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.773546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.773546 (E_RNA) where: Base-Base interactions energy: -87.628 where: short stacking energy: -35.480 Base-Backbone interact. energy: -0.012 local terms energy: -39.133239 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -9.895 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -106.861969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.861969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.861969 (E_RNA) where: Base-Base interactions energy: -75.887 where: short stacking energy: -29.531 Base-Backbone interact. energy: -0.008 local terms energy: -30.967488 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -8.133 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: 0.614 tors. eta vs tors. theta energy: -6.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -114.335677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.335677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.335677 (E_RNA) where: Base-Base interactions energy: -73.097 where: short stacking energy: -30.970 Base-Backbone interact. energy: -2.511 local terms energy: -38.728122 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -9.478 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -6.835 tors. eta vs tors. theta energy: -6.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -108.172319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.172319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.172319 (E_RNA) where: Base-Base interactions energy: -71.264 where: short stacking energy: -35.660 Base-Backbone interact. energy: -0.105 local terms energy: -36.803634 where: bonds (distance) C4'-P energy: -8.095 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -62.966934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.966934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.966934 (E_RNA) where: Base-Base interactions energy: -26.719 where: short stacking energy: -16.308 Base-Backbone interact. energy: -0.006 local terms energy: -36.241753 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -9.227 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -57.310643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.310643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.310643 (E_RNA) where: Base-Base interactions energy: -26.025 where: short stacking energy: -26.025 Base-Backbone interact. energy: -0.079 local terms energy: -31.206643 where: bonds (distance) C4'-P energy: -8.152 bonds (distance) P-C4' energy: -7.153 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -4.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -60.096757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.096757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.096757 (E_RNA) where: Base-Base interactions energy: -23.973 where: short stacking energy: -22.440 Base-Backbone interact. energy: -0.015 local terms energy: -36.108966 where: bonds (distance) C4'-P energy: -8.054 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -48.591254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.591254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.591254 (E_RNA) where: Base-Base interactions energy: -25.470 where: short stacking energy: -8.267 Base-Backbone interact. energy: 1.732 local terms energy: -24.854038 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: 4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -55.115527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.115527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.115527 (E_RNA) where: Base-Base interactions energy: -28.684 where: short stacking energy: -14.117 Base-Backbone interact. energy: -0.077 local terms energy: -26.354135 where: bonds (distance) C4'-P energy: -8.848 bonds (distance) P-C4' energy: -7.695 flat angles C4'-P-C4' energy: -1.900 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -117.745068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.745068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.745068 (E_RNA) where: Base-Base interactions energy: -78.159 where: short stacking energy: -31.813 Base-Backbone interact. energy: -0.808 local terms energy: -38.778183 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -10.338 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -6.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -111.438645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.438645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.438645 (E_RNA) where: Base-Base interactions energy: -79.664 where: short stacking energy: -30.229 Base-Backbone interact. energy: -0.043 local terms energy: -31.732263 where: bonds (distance) C4'-P energy: -8.418 bonds (distance) P-C4' energy: -9.285 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -0.866 tors. eta vs tors. theta energy: -5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -112.851691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.851691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.851691 (E_RNA) where: Base-Base interactions energy: -74.863 where: short stacking energy: -31.340 Base-Backbone interact. energy: -0.098 local terms energy: -37.890232 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -10.634 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -8.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -107.270189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.270189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.270189 (E_RNA) where: Base-Base interactions energy: -69.239 where: short stacking energy: -29.235 Base-Backbone interact. energy: -0.026 local terms energy: -38.005414 where: bonds (distance) C4'-P energy: -8.785 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -10.616 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -10.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -105.826439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.826439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.826439 (E_RNA) where: Base-Base interactions energy: -65.819 where: short stacking energy: -26.450 Base-Backbone interact. energy: -0.000 local terms energy: -40.006901 where: bonds (distance) C4'-P energy: -7.735 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -9.234 flat angles P-C4'-P energy: -6.798 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -56.690200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.690200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.690200 (E_RNA) where: Base-Base interactions energy: -21.078 where: short stacking energy: -21.078 Base-Backbone interact. energy: -0.091 local terms energy: -35.520617 where: bonds (distance) C4'-P energy: -8.782 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.041 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -58.492616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.492616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.492616 (E_RNA) where: Base-Base interactions energy: -25.732 where: short stacking energy: -12.380 Base-Backbone interact. energy: 0.443 local terms energy: -33.203588 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -9.298 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -52.118875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.118875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.118875 (E_RNA) where: Base-Base interactions energy: -22.873 where: short stacking energy: -22.025 Base-Backbone interact. energy: 1.175 local terms energy: -30.420588 where: bonds (distance) C4'-P energy: -5.243 bonds (distance) P-C4' energy: -8.435 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -4.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -53.109183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.109183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.109183 (E_RNA) where: Base-Base interactions energy: -18.171 where: short stacking energy: -18.171 Base-Backbone interact. energy: -0.022 local terms energy: -34.916069 where: bonds (distance) C4'-P energy: -8.956 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -7.448 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -53.144012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.144012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.144012 (E_RNA) where: Base-Base interactions energy: -28.896 where: short stacking energy: -18.315 Base-Backbone interact. energy: -0.017 local terms energy: -24.230855 where: bonds (distance) C4'-P energy: -7.056 bonds (distance) P-C4' energy: -7.033 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -1.704 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -111.797885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.797885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.797885 (E_RNA) where: Base-Base interactions energy: -69.415 where: short stacking energy: -28.286 Base-Backbone interact. energy: 0.008 local terms energy: -42.390327 where: bonds (distance) C4'-P energy: -7.905 bonds (distance) P-C4' energy: -10.913 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -6.835 tors. eta vs tors. theta energy: -8.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -121.923813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.923813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.923813 (E_RNA) where: Base-Base interactions energy: -80.620 where: short stacking energy: -35.904 Base-Backbone interact. energy: -0.007 local terms energy: -41.297093 where: bonds (distance) C4'-P energy: -8.868 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -8.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -118.866685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.866685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.866685 (E_RNA) where: Base-Base interactions energy: -80.696 where: short stacking energy: -34.432 Base-Backbone interact. energy: -0.020 local terms energy: -38.150839 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -8.802 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: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -110.407525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.407525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.407525 (E_RNA) where: Base-Base interactions energy: -68.718 where: short stacking energy: -29.699 Base-Backbone interact. energy: -0.000 local terms energy: -41.689365 where: bonds (distance) C4'-P energy: -8.642 bonds (distance) P-C4' energy: -11.593 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -8.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -108.834925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.834925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.834925 (E_RNA) where: Base-Base interactions energy: -72.457 where: short stacking energy: -27.463 Base-Backbone interact. energy: -0.913 local terms energy: -35.464763 where: bonds (distance) C4'-P energy: -8.107 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -6.733 tors. eta vs tors. theta energy: -5.592 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: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -59.917560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.917560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.917560 (E_RNA) where: Base-Base interactions energy: -23.380 where: short stacking energy: -22.173 Base-Backbone interact. energy: -0.101 local terms energy: -36.436417 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -8.234 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -54.594862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.594862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.594862 (E_RNA) where: Base-Base interactions energy: -14.204 where: short stacking energy: -14.204 Base-Backbone interact. energy: -0.190 local terms energy: -40.200777 where: bonds (distance) C4'-P energy: -7.499 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -9.744 flat angles P-C4'-P energy: -7.087 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -54.248061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.248061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.248061 (E_RNA) where: Base-Base interactions energy: -24.840 where: short stacking energy: -14.134 Base-Backbone interact. energy: -0.002 local terms energy: -29.406074 where: bonds (distance) C4'-P energy: -6.864 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: 0.024 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: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -47.613460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.613460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.613460 (E_RNA) where: Base-Base interactions energy: -14.822 where: short stacking energy: -14.139 Base-Backbone interact. energy: -0.089 local terms energy: -32.703157 where: bonds (distance) C4'-P energy: -8.286 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -9.921 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -44.746093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.746093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.746093 (E_RNA) where: Base-Base interactions energy: -14.136 where: short stacking energy: -14.136 Base-Backbone interact. energy: -0.018 local terms energy: -30.592608 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -121.994575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.994575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.994575 (E_RNA) where: Base-Base interactions energy: -76.305 where: short stacking energy: -35.347 Base-Backbone interact. energy: -0.210 local terms energy: -45.479249 where: bonds (distance) C4'-P energy: -7.855 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -10.510 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -8.291 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: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -120.591296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.591296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.591296 (E_RNA) where: Base-Base interactions energy: -79.136 where: short stacking energy: -34.955 Base-Backbone interact. energy: -0.003 local terms energy: -41.451966 where: bonds (distance) C4'-P energy: -8.703 bonds (distance) P-C4' energy: -10.032 flat angles C4'-P-C4' energy: -10.718 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -6.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -114.019465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.019465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.019465 (E_RNA) where: Base-Base interactions energy: -74.391 where: short stacking energy: -32.382 Base-Backbone interact. energy: -0.683 local terms energy: -38.945373 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -10.293 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -107.187240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.187240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.187240 (E_RNA) where: Base-Base interactions energy: -69.601 where: short stacking energy: -24.953 Base-Backbone interact. energy: 0.349 local terms energy: -37.934965 where: bonds (distance) C4'-P energy: -8.314 bonds (distance) P-C4' energy: -9.827 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: -6.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -104.571908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.571908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.571908 (E_RNA) where: Base-Base interactions energy: -65.621 where: short stacking energy: -23.496 Base-Backbone interact. energy: -0.173 local terms energy: -38.777923 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -9.088 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -7.211 tors. eta vs tors. theta energy: -7.900 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: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -63.456881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.456881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.456881 (E_RNA) where: Base-Base interactions energy: -30.533 where: short stacking energy: -16.369 Base-Backbone interact. energy: -0.070 local terms energy: -32.853836 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -48.628319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.628319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.628319 (E_RNA) where: Base-Base interactions energy: -22.588 where: short stacking energy: -19.136 Base-Backbone interact. energy: 1.381 local terms energy: -27.420800 where: bonds (distance) C4'-P energy: -9.795 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -7.991 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -1.171 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: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -53.262134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.262134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.262134 (E_RNA) where: Base-Base interactions energy: -15.491 where: short stacking energy: -15.491 Base-Backbone interact. energy: -0.007 local terms energy: -37.764202 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -52.745726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.745726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.745726 (E_RNA) where: Base-Base interactions energy: -21.019 where: short stacking energy: -11.496 Base-Backbone interact. energy: -0.051 local terms energy: -31.675975 where: bonds (distance) C4'-P energy: -6.336 bonds (distance) P-C4' energy: -9.711 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -48.328704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.328704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.328704 (E_RNA) where: Base-Base interactions energy: -21.099 where: short stacking energy: -15.280 Base-Backbone interact. energy: -0.044 local terms energy: -27.185718 where: bonds (distance) C4'-P energy: -8.754 bonds (distance) P-C4' energy: -8.460 flat angles C4'-P-C4' energy: -1.429 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -115.619743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.619743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.619743 (E_RNA) where: Base-Base interactions energy: -75.844 where: short stacking energy: -32.700 Base-Backbone interact. energy: -0.402 local terms energy: -39.373494 where: bonds (distance) C4'-P energy: -9.242 bonds (distance) P-C4' energy: -5.660 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -10.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -115.922053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.922053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.922053 (E_RNA) where: Base-Base interactions energy: -72.271 where: short stacking energy: -35.026 Base-Backbone interact. energy: -0.551 local terms energy: -43.099446 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -9.253 flat angles C4'-P-C4' energy: -9.140 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -9.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -109.903063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.903063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.903063 (E_RNA) where: Base-Base interactions energy: -68.468 where: short stacking energy: -31.658 Base-Backbone interact. energy: 0.004 local terms energy: -41.438667 where: bonds (distance) C4'-P energy: -8.443 bonds (distance) P-C4' energy: -10.386 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -112.453282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.453282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.453282 (E_RNA) where: Base-Base interactions energy: -71.602 where: short stacking energy: -33.819 Base-Backbone interact. energy: -0.008 local terms energy: -40.843181 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -8.410 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -7.904 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: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -65.015782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.015782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.015782 (E_RNA) where: Base-Base interactions energy: -34.205 where: short stacking energy: -11.329 Base-Backbone interact. energy: -0.114 local terms energy: -30.696475 where: bonds (distance) C4'-P energy: -8.260 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -10.605 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: 3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -103.839796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.839796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.839796 (E_RNA) where: Base-Base interactions energy: -65.072 where: short stacking energy: -30.011 Base-Backbone interact. energy: -0.001 local terms energy: -38.767147 where: bonds (distance) C4'-P energy: -9.396 bonds (distance) P-C4' energy: -8.181 flat angles C4'-P-C4' energy: -10.284 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -7.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -59.833274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.833274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.833274 (E_RNA) where: Base-Base interactions energy: -22.460 where: short stacking energy: -22.460 Base-Backbone interact. energy: -0.007 local terms energy: -37.366534 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.837 flat angles C4'-P-C4' energy: -9.720 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -7.263 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: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -52.769745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.769745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.769745 (E_RNA) where: Base-Base interactions energy: -23.693 where: short stacking energy: -18.189 Base-Backbone interact. energy: -0.098 local terms energy: -28.978991 where: bonds (distance) C4'-P energy: -2.639 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -57.737394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.737394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.737394 (E_RNA) where: Base-Base interactions energy: -24.448 where: short stacking energy: -14.182 Base-Backbone interact. energy: -0.147 local terms energy: -33.142056 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -48.144668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.144668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.144668 (E_RNA) where: Base-Base interactions energy: -20.751 where: short stacking energy: -20.643 Base-Backbone interact. energy: -0.022 local terms energy: -27.371447 where: bonds (distance) C4'-P energy: -9.218 bonds (distance) P-C4' energy: -5.659 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -116.497168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.497168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.497168 (E_RNA) where: Base-Base interactions energy: -70.033 where: short stacking energy: -31.888 Base-Backbone interact. energy: -0.003 local terms energy: -46.461450 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -10.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -116.619945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.619945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.619945 (E_RNA) where: Base-Base interactions energy: -75.601 where: short stacking energy: -30.278 Base-Backbone interact. energy: -0.005 local terms energy: -41.014034 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -9.341 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -7.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -115.330549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.330549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.330549 (E_RNA) where: Base-Base interactions energy: -75.715 where: short stacking energy: -29.241 Base-Backbone interact. energy: -0.396 local terms energy: -39.219507 where: bonds (distance) C4'-P energy: -8.488 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -9.776 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: -8.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -110.195662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.195662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.195662 (E_RNA) where: Base-Base interactions energy: -69.851 where: short stacking energy: -31.853 Base-Backbone interact. energy: -0.004 local terms energy: -40.340614 where: bonds (distance) C4'-P energy: -9.725 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -10.688 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -5.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -88.376620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.376620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.376620 (E_RNA) where: Base-Base interactions energy: -50.634 where: short stacking energy: -27.274 Base-Backbone interact. energy: -0.725 local terms energy: -37.017382 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -109.722963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.722963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.722963 (E_RNA) where: Base-Base interactions energy: -78.383 where: short stacking energy: -36.137 Base-Backbone interact. energy: 0.278 local terms energy: -31.617546 where: bonds (distance) C4'-P energy: -0.928 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -8.753 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -53.191757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.191757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.191757 (E_RNA) where: Base-Base interactions energy: -19.307 where: short stacking energy: -19.307 Base-Backbone interact. energy: -0.008 local terms energy: -33.876594 where: bonds (distance) C4'-P energy: -8.322 bonds (distance) P-C4' energy: -9.538 flat angles C4'-P-C4' energy: -9.546 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -53.378081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.378081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.378081 (E_RNA) where: Base-Base interactions energy: -26.261 where: short stacking energy: -22.721 Base-Backbone interact. energy: -0.005 local terms energy: -27.112195 where: bonds (distance) C4'-P energy: -7.967 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -1.106 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -60.388076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.388076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.388076 (E_RNA) where: Base-Base interactions energy: -24.153 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.111 local terms energy: -36.123726 where: bonds (distance) C4'-P energy: -7.462 bonds (distance) P-C4' energy: -9.072 flat angles C4'-P-C4' energy: -9.386 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -5.680 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: 3 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -48.036409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.036409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.036409 (E_RNA) where: Base-Base interactions energy: -14.990 where: short stacking energy: -13.886 Base-Backbone interact. energy: -0.156 local terms energy: -32.890078 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -110.886674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.886674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.886674 (E_RNA) where: Base-Base interactions energy: -70.191 where: short stacking energy: -27.788 Base-Backbone interact. energy: -0.811 local terms energy: -39.885018 where: bonds (distance) C4'-P energy: -9.474 bonds (distance) P-C4' energy: -9.904 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -5.398 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: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -115.234643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.234643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.234643 (E_RNA) where: Base-Base interactions energy: -73.469 where: short stacking energy: -30.050 Base-Backbone interact. energy: -0.435 local terms energy: -41.330391 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -8.580 flat angles C4'-P-C4' energy: -9.622 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -10.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -113.582141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.582141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.582141 (E_RNA) where: Base-Base interactions energy: -79.876 where: short stacking energy: -30.542 Base-Backbone interact. energy: -0.391 local terms energy: -33.315723 where: bonds (distance) C4'-P energy: -7.441 bonds (distance) P-C4' energy: -9.538 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: -8.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -111.935699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.935699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.935699 (E_RNA) where: Base-Base interactions energy: -70.010 where: short stacking energy: -31.490 Base-Backbone interact. energy: -1.181 local terms energy: -40.744721 where: bonds (distance) C4'-P energy: -8.902 bonds (distance) P-C4' energy: -10.398 flat angles C4'-P-C4' energy: -9.660 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -109.495451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.495451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.495451 (E_RNA) where: Base-Base interactions energy: -69.252 where: short stacking energy: -30.787 Base-Backbone interact. energy: -0.001 local terms energy: -40.241967 where: bonds (distance) C4'-P energy: -8.810 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -8.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -102.923156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.923156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.923156 (E_RNA) where: Base-Base interactions energy: -69.894 where: short stacking energy: -24.512 Base-Backbone interact. energy: -0.073 local terms energy: -32.956266 where: bonds (distance) C4'-P energy: -7.946 bonds (distance) P-C4' energy: -9.009 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -1.982 tors. eta vs tors. theta energy: -5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -55.887074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.887074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.887074 (E_RNA) where: Base-Base interactions energy: -24.904 where: short stacking energy: -24.904 Base-Backbone interact. energy: -0.000 local terms energy: -30.982950 where: bonds (distance) C4'-P energy: -4.796 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -0.971 tors. eta vs tors. theta energy: -9.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -61.004792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.004792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.004792 (E_RNA) where: Base-Base interactions energy: -33.812 where: short stacking energy: -22.182 Base-Backbone interact. energy: -0.054 local terms energy: -27.138784 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -2.728 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -3.227 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: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -63.338637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.338637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.338637 (E_RNA) where: Base-Base interactions energy: -26.824 where: short stacking energy: -26.824 Base-Backbone interact. energy: -0.002 local terms energy: -36.512687 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -9.769 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -5.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -43.304951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.304951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.304951 (E_RNA) where: Base-Base interactions energy: -17.472 where: short stacking energy: -12.609 Base-Backbone interact. energy: -0.107 local terms energy: -25.726121 where: bonds (distance) C4'-P energy: -9.822 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -114.710437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.710437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.710437 (E_RNA) where: Base-Base interactions energy: -70.223 where: short stacking energy: -27.556 Base-Backbone interact. energy: -0.097 local terms energy: -44.390325 where: bonds (distance) C4'-P energy: -8.625 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -6.962 tors. eta vs tors. theta energy: -10.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -117.954930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.954930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.954930 (E_RNA) where: Base-Base interactions energy: -78.408 where: short stacking energy: -35.004 Base-Backbone interact. energy: -0.000 local terms energy: -39.546208 where: bonds (distance) C4'-P energy: -8.338 bonds (distance) P-C4' energy: -8.349 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -8.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -116.511291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.511291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.511291 (E_RNA) where: Base-Base interactions energy: -75.075 where: short stacking energy: -29.036 Base-Backbone interact. energy: -0.006 local terms energy: -41.429652 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -10.118 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -6.731 tors. eta vs tors. theta energy: -6.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -110.754765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.754765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.754765 (E_RNA) where: Base-Base interactions energy: -71.287 where: short stacking energy: -31.223 Base-Backbone interact. energy: -0.679 local terms energy: -38.788126 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -9.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -103.272154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.272154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.272154 (E_RNA) where: Base-Base interactions energy: -67.240 where: short stacking energy: -26.276 Base-Backbone interact. energy: -0.090 local terms energy: -35.941939 where: bonds (distance) C4'-P energy: -6.587 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -7.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -54.299962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.299962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.299962 (E_RNA) where: Base-Base interactions energy: -20.769 where: short stacking energy: -16.698 Base-Backbone interact. energy: -0.184 local terms energy: -33.347175 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -9.827 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -1.678 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: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -59.727840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.727840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.727840 (E_RNA) where: Base-Base interactions energy: -24.768 where: short stacking energy: -21.895 Base-Backbone interact. energy: -0.186 local terms energy: -34.773007 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -50.207975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.207975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.207975 (E_RNA) where: Base-Base interactions energy: -23.491 where: short stacking energy: -18.799 Base-Backbone interact. energy: 1.789 local terms energy: -28.505837 where: bonds (distance) C4'-P energy: -5.446 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -92.756743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.756743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.756743 (E_RNA) where: Base-Base interactions energy: -58.377 where: short stacking energy: -24.954 Base-Backbone interact. energy: -0.705 local terms energy: -33.674740 where: bonds (distance) C4'-P energy: -8.058 bonds (distance) P-C4' energy: -7.837 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -6.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -53.304280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.304280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.304280 (E_RNA) where: Base-Base interactions energy: -18.536 where: short stacking energy: -11.727 Base-Backbone interact. energy: 0.603 local terms energy: -35.371271 where: bonds (distance) C4'-P energy: -9.510 bonds (distance) P-C4' energy: -10.606 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -113.883324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.883324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.883324 (E_RNA) where: Base-Base interactions energy: -81.927 where: short stacking energy: -33.647 Base-Backbone interact. energy: -0.053 local terms energy: -31.902925 where: bonds (distance) C4'-P energy: -8.800 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -1.496 tors. eta vs tors. theta energy: -7.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -118.330596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.330596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.330596 (E_RNA) where: Base-Base interactions energy: -73.044 where: short stacking energy: -32.668 Base-Backbone interact. energy: -1.183 local terms energy: -44.103220 where: bonds (distance) C4'-P energy: -8.587 bonds (distance) P-C4' energy: -9.020 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -10.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -107.674053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.674053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.674053 (E_RNA) where: Base-Base interactions energy: -69.795 where: short stacking energy: -29.288 Base-Backbone interact. energy: -0.124 local terms energy: -37.755149 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -116.474632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.474632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.474632 (E_RNA) where: Base-Base interactions energy: -80.559 where: short stacking energy: -29.514 Base-Backbone interact. energy: -0.025 local terms energy: -35.891131 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -9.263 flat angles P-C4'-P energy: -6.135 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -100.935652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.935652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.935652 (E_RNA) where: Base-Base interactions energy: -65.777 where: short stacking energy: -30.960 Base-Backbone interact. energy: -0.109 local terms energy: -35.049389 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -10.836 flat angles P-C4'-P energy: -1.570 tors. eta vs tors. theta energy: -7.360 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: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -62.380777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.380777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.380777 (E_RNA) where: Base-Base interactions energy: -31.789 where: short stacking energy: -16.248 Base-Backbone interact. energy: -0.097 local terms energy: -30.495120 where: bonds (distance) C4'-P energy: -7.929 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -57.690387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.690387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.690387 (E_RNA) where: Base-Base interactions energy: -19.215 where: short stacking energy: -19.215 Base-Backbone interact. energy: -0.084 local terms energy: -38.391116 where: bonds (distance) C4'-P energy: -8.679 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -60.978135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.978135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.978135 (E_RNA) where: Base-Base interactions energy: -25.455 where: short stacking energy: -24.528 Base-Backbone interact. energy: 0.615 local terms energy: -36.137890 where: bonds (distance) C4'-P energy: -7.859 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -7.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -50.154724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.154724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.154724 (E_RNA) where: Base-Base interactions energy: -12.655 where: short stacking energy: -12.562 Base-Backbone interact. energy: -0.277 local terms energy: -37.223160 where: bonds (distance) C4'-P energy: -8.773 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -3.167 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: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -50.131625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.131625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.131625 (E_RNA) where: Base-Base interactions energy: -19.857 where: short stacking energy: -10.771 Base-Backbone interact. energy: -0.138 local terms energy: -30.136907 where: bonds (distance) C4'-P energy: -9.164 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -2.630 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: 4 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -120.870331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.870331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.870331 (E_RNA) where: Base-Base interactions energy: -75.076 where: short stacking energy: -34.636 Base-Backbone interact. energy: -0.165 local terms energy: -45.629758 where: bonds (distance) C4'-P energy: -8.604 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -9.744 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -10.355 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: 235 Temperature: 0.950000 Total energy: -115.356869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.356869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.356869 (E_RNA) where: Base-Base interactions energy: -74.116 where: short stacking energy: -30.541 Base-Backbone interact. energy: -0.426 local terms energy: -40.814698 where: bonds (distance) C4'-P energy: -8.870 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -9.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -111.206291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.206291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.206291 (E_RNA) where: Base-Base interactions energy: -77.766 where: short stacking energy: -34.749 Base-Backbone interact. energy: -0.004 local terms energy: -33.435929 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -113.570847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.570847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.570847 (E_RNA) where: Base-Base interactions energy: -76.260 where: short stacking energy: -33.062 Base-Backbone interact. energy: -0.001 local terms energy: -37.309536 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -7.712 flat angles C4'-P-C4' energy: -10.048 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -9.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -112.205833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.205833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.205833 (E_RNA) where: Base-Base interactions energy: -70.513 where: short stacking energy: -32.044 Base-Backbone interact. energy: 0.900 local terms energy: -42.593019 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -11.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -51.274520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.274520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.274520 (E_RNA) where: Base-Base interactions energy: -17.416 where: short stacking energy: -17.416 Base-Backbone interact. energy: -0.090 local terms energy: -33.767837 where: bonds (distance) C4'-P energy: -8.385 bonds (distance) P-C4' energy: -7.294 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -56.983114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.983114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.983114 (E_RNA) where: Base-Base interactions energy: -25.467 where: short stacking energy: -14.909 Base-Backbone interact. energy: -0.003 local terms energy: -31.512592 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -8.187 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -1.620 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: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -56.486766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.486766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.486766 (E_RNA) where: Base-Base interactions energy: -33.105 where: short stacking energy: -18.466 Base-Backbone interact. energy: -0.023 local terms energy: -23.358688 where: bonds (distance) C4'-P energy: -8.062 bonds (distance) P-C4' energy: -7.735 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: 1.475 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: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -55.124665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.124665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.124665 (E_RNA) where: Base-Base interactions energy: -27.172 where: short stacking energy: -12.922 Base-Backbone interact. energy: -0.516 local terms energy: -27.436062 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -8.104 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -59.822748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.822748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.822748 (E_RNA) where: Base-Base interactions energy: -24.932 where: short stacking energy: -24.932 Base-Backbone interact. energy: -0.108 local terms energy: -34.782944 where: bonds (distance) C4'-P energy: -5.384 bonds (distance) P-C4' energy: -10.413 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -5.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -114.373102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.373102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.373102 (E_RNA) where: Base-Base interactions energy: -74.798 where: short stacking energy: -34.046 Base-Backbone interact. energy: -0.093 local terms energy: -39.482090 where: bonds (distance) C4'-P energy: -8.878 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.419 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -7.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -120.484819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.484819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.484819 (E_RNA) where: Base-Base interactions energy: -76.816 where: short stacking energy: -35.853 Base-Backbone interact. energy: -1.026 local terms energy: -42.642726 where: bonds (distance) C4'-P energy: -8.521 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -6.421 tors. eta vs tors. theta energy: -9.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -109.793887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.793887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.793887 (E_RNA) where: Base-Base interactions energy: -69.669 where: short stacking energy: -29.965 Base-Backbone interact. energy: -0.003 local terms energy: -40.122587 where: bonds (distance) C4'-P energy: -8.667 bonds (distance) P-C4' energy: -9.278 flat angles C4'-P-C4' energy: -9.378 flat angles P-C4'-P energy: -7.587 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -124.774923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.774923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.774923 (E_RNA) where: Base-Base interactions energy: -81.187 where: short stacking energy: -33.131 Base-Backbone interact. energy: -0.007 local terms energy: -43.581467 where: bonds (distance) C4'-P energy: -8.467 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -10.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -102.580104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.580104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.580104 (E_RNA) where: Base-Base interactions energy: -66.044 where: short stacking energy: -29.490 Base-Backbone interact. energy: -0.248 local terms energy: -36.288538 where: bonds (distance) C4'-P energy: -8.960 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -4.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -59.955590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.955590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.955590 (E_RNA) where: Base-Base interactions energy: -21.271 where: short stacking energy: -21.055 Base-Backbone interact. energy: -0.133 local terms energy: -38.552041 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -9.702 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -58.246486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.246486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.246486 (E_RNA) where: Base-Base interactions energy: -19.502 where: short stacking energy: -19.502 Base-Backbone interact. energy: -0.161 local terms energy: -38.583429 where: bonds (distance) C4'-P energy: -9.188 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -7.193 tors. eta vs tors. theta energy: -3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -57.160908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.160908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.160908 (E_RNA) where: Base-Base interactions energy: -30.941 where: short stacking energy: -15.756 Base-Backbone interact. energy: 0.134 local terms energy: -26.354296 where: bonds (distance) C4'-P energy: -7.735 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -53.386097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.386097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.386097 (E_RNA) where: Base-Base interactions energy: -20.664 where: short stacking energy: -13.456 Base-Backbone interact. energy: -0.068 local terms energy: -32.654290 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -49.530154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.530154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.530154 (E_RNA) where: Base-Base interactions energy: -17.066 where: short stacking energy: -10.798 Base-Backbone interact. energy: -0.045 local terms energy: -32.419405 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -1.518 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: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -115.565193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.565193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.565193 (E_RNA) where: Base-Base interactions energy: -74.751 where: short stacking energy: -30.466 Base-Backbone interact. energy: -1.089 local terms energy: -39.725723 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -8.471 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -7.320 tors. eta vs tors. theta energy: -7.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -120.547657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.547657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.547657 (E_RNA) where: Base-Base interactions energy: -81.441 where: short stacking energy: -31.363 Base-Backbone interact. energy: -0.908 local terms energy: -38.198712 where: bonds (distance) C4'-P energy: -9.387 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -7.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -113.910508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.910508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.910508 (E_RNA) where: Base-Base interactions energy: -74.561 where: short stacking energy: -30.604 Base-Backbone interact. energy: -0.001 local terms energy: -39.348815 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -4.993 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: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -104.753724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.753724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.753724 (E_RNA) where: Base-Base interactions energy: -67.420 where: short stacking energy: -26.542 Base-Backbone interact. energy: -1.017 local terms energy: -36.316768 where: bonds (distance) C4'-P energy: -7.254 bonds (distance) P-C4' energy: -6.776 flat angles C4'-P-C4' energy: -9.880 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -7.753 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: 5, replica: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -118.968737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.968737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.968737 (E_RNA) where: Base-Base interactions energy: -83.118 where: short stacking energy: -28.857 Base-Backbone interact. energy: 1.543 local terms energy: -37.393480 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -10.133 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: 0.018 tors. eta vs tors. theta energy: -8.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -64.421742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.421742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.421742 (E_RNA) where: Base-Base interactions energy: -29.303 where: short stacking energy: -29.303 Base-Backbone interact. energy: -0.155 local terms energy: -34.964022 where: bonds (distance) C4'-P energy: -8.252 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -7.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -59.858949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.858949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.858949 (E_RNA) where: Base-Base interactions energy: -25.178 where: short stacking energy: -20.509 Base-Backbone interact. energy: -0.099 local terms energy: -34.581581 where: bonds (distance) C4'-P energy: -7.702 bonds (distance) P-C4' energy: -8.813 flat angles C4'-P-C4' energy: -10.171 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -55.814517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.814517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.814517 (E_RNA) where: Base-Base interactions energy: -22.292 where: short stacking energy: -20.550 Base-Backbone interact. energy: -0.078 local terms energy: -33.444232 where: bonds (distance) C4'-P energy: -5.764 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -6.373 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: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -52.127246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.127246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.127246 (E_RNA) where: Base-Base interactions energy: -20.997 where: short stacking energy: -13.166 Base-Backbone interact. energy: -0.075 local terms energy: -31.054682 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: 0.330 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -49.711351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.711351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.711351 (E_RNA) where: Base-Base interactions energy: -18.953 where: short stacking energy: -14.647 Base-Backbone interact. energy: -0.106 local terms energy: -30.651752 where: bonds (distance) C4'-P energy: -8.724 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -7.555 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -115.413573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.413573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.413573 (E_RNA) where: Base-Base interactions energy: -73.010 where: short stacking energy: -31.551 Base-Backbone interact. energy: -0.088 local terms energy: -42.315274 where: bonds (distance) C4'-P energy: -10.070 bonds (distance) P-C4' energy: -10.122 flat angles C4'-P-C4' energy: -10.442 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -6.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -110.325116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.325116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.325116 (E_RNA) where: Base-Base interactions energy: -72.079 where: short stacking energy: -27.078 Base-Backbone interact. energy: -0.135 local terms energy: -38.110947 where: bonds (distance) C4'-P energy: -9.167 bonds (distance) P-C4' energy: -10.004 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -8.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -115.998331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.998331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.998331 (E_RNA) where: Base-Base interactions energy: -74.780 where: short stacking energy: -34.349 Base-Backbone interact. energy: -0.305 local terms energy: -40.913371 where: bonds (distance) C4'-P energy: -7.263 bonds (distance) P-C4' energy: -8.466 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -10.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -111.599210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.599210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.599210 (E_RNA) where: Base-Base interactions energy: -74.871 where: short stacking energy: -33.573 Base-Backbone interact. energy: 0.549 local terms energy: -37.277456 where: bonds (distance) C4'-P energy: -8.298 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -8.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -104.243947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.243947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.243947 (E_RNA) where: Base-Base interactions energy: -66.025 where: short stacking energy: -29.608 Base-Backbone interact. energy: -0.144 local terms energy: -38.075046 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -10.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -64.425236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.425236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.425236 (E_RNA) where: Base-Base interactions energy: -30.153 where: short stacking energy: -25.642 Base-Backbone interact. energy: -0.852 local terms energy: -33.419955 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -10.007 flat angles C4'-P-C4' energy: -8.534 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -1.501 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: 238 Temperature: 1.200000 Total energy: -60.655256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.655256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.655256 (E_RNA) where: Base-Base interactions energy: -32.206 where: short stacking energy: -26.604 Base-Backbone interact. energy: -0.005 local terms energy: -28.444523 where: bonds (distance) C4'-P energy: -7.532 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -53.820949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.820949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.820949 (E_RNA) where: Base-Base interactions energy: -21.202 where: short stacking energy: -17.457 Base-Backbone interact. energy: 0.789 local terms energy: -33.408025 where: bonds (distance) C4'-P energy: -8.392 bonds (distance) P-C4' energy: -7.708 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -6.083 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -70.384909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.384909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.384909 (E_RNA) where: Base-Base interactions energy: -38.334 where: short stacking energy: -26.067 Base-Backbone interact. energy: -0.021 local terms energy: -32.030390 where: bonds (distance) C4'-P energy: -8.686 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -1.259 tors. eta vs tors. theta energy: -5.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -46.668074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.668074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.668074 (E_RNA) where: Base-Base interactions energy: -18.682 where: short stacking energy: -12.068 Base-Backbone interact. energy: -0.124 local terms energy: -27.862401 where: bonds (distance) C4'-P energy: -6.517 bonds (distance) P-C4' energy: -4.700 flat angles C4'-P-C4' energy: -8.866 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -115.771688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.771688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.771688 (E_RNA) where: Base-Base interactions energy: -72.140 where: short stacking energy: -32.581 Base-Backbone interact. energy: -0.801 local terms energy: -42.830700 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -9.545 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -8.767 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: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -118.650873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.650873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.650873 (E_RNA) where: Base-Base interactions energy: -73.415 where: short stacking energy: -31.347 Base-Backbone interact. energy: -0.634 local terms energy: -44.602655 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -9.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -110.371015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.371015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.371015 (E_RNA) where: Base-Base interactions energy: -74.074 where: short stacking energy: -29.595 Base-Backbone interact. energy: -0.089 local terms energy: -36.208221 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -1.197 tors. eta vs tors. theta energy: -8.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -105.275374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.275374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.275374 (E_RNA) where: Base-Base interactions energy: -64.568 where: short stacking energy: -29.391 Base-Backbone interact. energy: -0.185 local terms energy: -40.522830 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -11.600 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -6.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -112.152034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.152034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.152034 (E_RNA) where: Base-Base interactions energy: -75.607 where: short stacking energy: -35.266 Base-Backbone interact. energy: -0.002 local terms energy: -36.543665 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -9.291 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -0.942 tors. eta vs tors. theta energy: -9.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -59.719190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.719190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.719190 (E_RNA) where: Base-Base interactions energy: -29.168 where: short stacking energy: -15.737 Base-Backbone interact. energy: -0.184 local terms energy: -30.367132 where: bonds (distance) C4'-P energy: -8.666 bonds (distance) P-C4' energy: -8.254 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -65.758655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.758655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.758655 (E_RNA) where: Base-Base interactions energy: -33.035 where: short stacking energy: -31.980 Base-Backbone interact. energy: -0.002 local terms energy: -32.722299 where: bonds (distance) C4'-P energy: -8.679 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -54.074130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.074130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.074130 (E_RNA) where: Base-Base interactions energy: -18.595 where: short stacking energy: -9.853 Base-Backbone interact. energy: -0.089 local terms energy: -35.389962 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -51.813992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.813992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.813992 (E_RNA) where: Base-Base interactions energy: -19.018 where: short stacking energy: -16.511 Base-Backbone interact. energy: -0.024 local terms energy: -32.772285 where: bonds (distance) C4'-P energy: -9.042 bonds (distance) P-C4' energy: -9.110 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -2.263 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -47.154573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.154573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.154573 (E_RNA) where: Base-Base interactions energy: -15.924 where: short stacking energy: -15.924 Base-Backbone interact. energy: -0.297 local terms energy: -30.933723 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -7.482 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: 1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -120.690159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.690159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.690159 (E_RNA) where: Base-Base interactions energy: -79.579 where: short stacking energy: -34.220 Base-Backbone interact. energy: 0.009 local terms energy: -41.120476 where: bonds (distance) C4'-P energy: -6.948 bonds (distance) P-C4' energy: -8.502 flat angles C4'-P-C4' energy: -8.626 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -10.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -118.020348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.020348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.020348 (E_RNA) where: Base-Base interactions energy: -78.998 where: short stacking energy: -35.687 Base-Backbone interact. energy: -0.942 local terms energy: -38.079728 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -7.070 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -7.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -111.419585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.419585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.419585 (E_RNA) where: Base-Base interactions energy: -72.711 where: short stacking energy: -32.070 Base-Backbone interact. energy: -0.552 local terms energy: -38.156407 where: bonds (distance) C4'-P energy: -9.671 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -6.993 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: 240 Temperature: 1.050000 Total energy: -107.292186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.292186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.292186 (E_RNA) where: Base-Base interactions energy: -68.445 where: short stacking energy: -27.846 Base-Backbone interact. energy: -0.099 local terms energy: -38.748886 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -6.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -110.972696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.972696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.972696 (E_RNA) where: Base-Base interactions energy: -79.062 where: short stacking energy: -36.087 Base-Backbone interact. energy: 0.742 local terms energy: -32.652190 where: bonds (distance) C4'-P energy: -7.412 bonds (distance) P-C4' energy: -8.435 flat angles C4'-P-C4' energy: -2.488 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -8.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -64.970858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.970858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.970858 (E_RNA) where: Base-Base interactions energy: -34.311 where: short stacking energy: -34.311 Base-Backbone interact. energy: -0.026 local terms energy: -30.633680 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -8.694 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -57.434247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.434247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.434247 (E_RNA) where: Base-Base interactions energy: -22.869 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.044 local terms energy: -34.521015 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -7.773 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -5.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -50.122820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.122820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.122820 (E_RNA) where: Base-Base interactions energy: -10.293 where: short stacking energy: -10.293 Base-Backbone interact. energy: -0.001 local terms energy: -39.828620 where: bonds (distance) C4'-P energy: -9.697 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -9.869 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -53.926956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.926956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.926956 (E_RNA) where: Base-Base interactions energy: -19.082 where: short stacking energy: -17.165 Base-Backbone interact. energy: -0.000 local terms energy: -34.845005 where: bonds (distance) C4'-P energy: -4.986 bonds (distance) P-C4' energy: -11.339 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -7.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -43.768865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.768865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.768865 (E_RNA) where: Base-Base interactions energy: -16.132 where: short stacking energy: -9.732 Base-Backbone interact. energy: -0.119 local terms energy: -27.517847 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -7.546 tors. eta vs tors. theta energy: 0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -113.794813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.794813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.794813 (E_RNA) where: Base-Base interactions energy: -71.739 where: short stacking energy: -31.776 Base-Backbone interact. energy: -0.044 local terms energy: -42.012277 where: bonds (distance) C4'-P energy: -8.774 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -6.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -116.945494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.945494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.945494 (E_RNA) where: Base-Base interactions energy: -78.799 where: short stacking energy: -32.019 Base-Backbone interact. energy: -0.004 local terms energy: -38.143346 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -10.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -105.669565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.669565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.669565 (E_RNA) where: Base-Base interactions energy: -63.926 where: short stacking energy: -25.586 Base-Backbone interact. energy: -0.008 local terms energy: -41.735022 where: bonds (distance) C4'-P energy: -9.883 bonds (distance) P-C4' energy: -10.137 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -7.679 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: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -103.254737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.254737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.254737 (E_RNA) where: Base-Base interactions energy: -68.045 where: short stacking energy: -31.887 Base-Backbone interact. energy: -0.058 local terms energy: -35.151133 where: bonds (distance) C4'-P energy: -5.756 bonds (distance) P-C4' energy: -9.217 flat angles C4'-P-C4' energy: -8.379 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -114.514500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.514500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.514500 (E_RNA) where: Base-Base interactions energy: -82.523 where: short stacking energy: -29.228 Base-Backbone interact. energy: -0.084 local terms energy: -31.907533 where: bonds (distance) C4'-P energy: -8.746 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -2.053 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -9.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -59.583177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.583177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.583177 (E_RNA) where: Base-Base interactions energy: -21.337 where: short stacking energy: -17.658 Base-Backbone interact. energy: -0.005 local terms energy: -38.240677 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -52.507147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.507147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.507147 (E_RNA) where: Base-Base interactions energy: -19.355 where: short stacking energy: -17.044 Base-Backbone interact. energy: -0.043 local terms energy: -33.109872 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -7.209 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -60.541093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.541093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.541093 (E_RNA) where: Base-Base interactions energy: -28.139 where: short stacking energy: -21.204 Base-Backbone interact. energy: -0.003 local terms energy: -32.399301 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -1.192 tors. eta vs tors. theta energy: -5.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -50.323705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.323705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.323705 (E_RNA) where: Base-Base interactions energy: -16.662 where: short stacking energy: -16.662 Base-Backbone interact. energy: -0.020 local terms energy: -33.640931 where: bonds (distance) C4'-P energy: -8.384 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -5.977 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: 10, replica: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -50.578902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.578902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.578902 (E_RNA) where: Base-Base interactions energy: -18.034 where: short stacking energy: -18.034 Base-Backbone interact. energy: 0.377 local terms energy: -32.921755 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -116.139907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.139907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.139907 (E_RNA) where: Base-Base interactions energy: -71.700 where: short stacking energy: -32.036 Base-Backbone interact. energy: -1.156 local terms energy: -43.284307 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -7.535 tors. eta vs tors. theta energy: -8.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -116.669460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.669460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.669460 (E_RNA) where: Base-Base interactions energy: -73.553 where: short stacking energy: -33.783 Base-Backbone interact. energy: -0.869 local terms energy: -42.247510 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -9.440 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -9.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -107.949256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.949256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.949256 (E_RNA) where: Base-Base interactions energy: -66.019 where: short stacking energy: -27.463 Base-Backbone interact. energy: -0.003 local terms energy: -41.927615 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -10.361 flat angles C4'-P-C4' energy: -9.392 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -7.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -107.301751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.301751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.301751 (E_RNA) where: Base-Base interactions energy: -69.438 where: short stacking energy: -28.438 Base-Backbone interact. energy: -0.002 local terms energy: -37.861964 where: bonds (distance) C4'-P energy: -8.492 bonds (distance) P-C4' energy: -11.342 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -114.619378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.619378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.619378 (E_RNA) where: Base-Base interactions energy: -77.325 where: short stacking energy: -28.374 Base-Backbone interact. energy: -0.004 local terms energy: -37.290246 where: bonds (distance) C4'-P energy: -8.935 bonds (distance) P-C4' energy: -9.908 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -8.191 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: 2 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -66.410426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.410426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.410426 (E_RNA) where: Base-Base interactions energy: -27.115 where: short stacking energy: -27.115 Base-Backbone interact. energy: -0.002 local terms energy: -39.293115 where: bonds (distance) C4'-P energy: -8.331 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -10.018 flat angles P-C4'-P energy: -6.661 tors. eta vs tors. theta energy: -6.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -50.810809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.810809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.810809 (E_RNA) where: Base-Base interactions energy: -23.681 where: short stacking energy: -17.304 Base-Backbone interact. energy: -0.321 local terms energy: -26.808997 where: bonds (distance) C4'-P energy: -5.801 bonds (distance) P-C4' energy: -6.452 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -54.436850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.436850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.436850 (E_RNA) where: Base-Base interactions energy: -22.942 where: short stacking energy: -14.622 Base-Backbone interact. energy: -0.827 local terms energy: -30.668172 where: bonds (distance) C4'-P energy: -6.898 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -50.397281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.397281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.397281 (E_RNA) where: Base-Base interactions energy: -16.118 where: short stacking energy: -13.393 Base-Backbone interact. energy: -0.000 local terms energy: -34.278920 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -10.035 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -45.188795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.188795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.188795 (E_RNA) where: Base-Base interactions energy: -16.350 where: short stacking energy: -16.350 Base-Backbone interact. energy: -0.270 local terms energy: -28.568555 where: bonds (distance) C4'-P energy: -3.881 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -117.520209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.520209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.520209 (E_RNA) where: Base-Base interactions energy: -77.485 where: short stacking energy: -26.632 Base-Backbone interact. energy: -0.097 local terms energy: -39.938684 where: bonds (distance) C4'-P energy: -9.158 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -7.348 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: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -116.365928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.365928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.365928 (E_RNA) where: Base-Base interactions energy: -71.764 where: short stacking energy: -30.036 Base-Backbone interact. energy: -0.004 local terms energy: -44.598267 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -10.073 flat angles C4'-P-C4' energy: -9.425 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: -8.667 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: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -110.406214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.406214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.406214 (E_RNA) where: Base-Base interactions energy: -76.534 where: short stacking energy: -30.157 Base-Backbone interact. energy: -0.107 local terms energy: -33.765448 where: bonds (distance) C4'-P energy: -9.954 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -6.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -110.836515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.836515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.836515 (E_RNA) where: Base-Base interactions energy: -70.542 where: short stacking energy: -29.641 Base-Backbone interact. energy: 0.286 local terms energy: -40.581048 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -7.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -109.471889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.471889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.471889 (E_RNA) where: Base-Base interactions energy: -73.781 where: short stacking energy: -32.050 Base-Backbone interact. energy: -0.330 local terms energy: -35.361076 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -8.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -62.813234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.813234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.813234 (E_RNA) where: Base-Base interactions energy: -24.839 where: short stacking energy: -24.839 Base-Backbone interact. energy: -0.000 local terms energy: -37.973764 where: bonds (distance) C4'-P energy: -9.701 bonds (distance) P-C4' energy: -9.603 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -4.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -66.965717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.965717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.965717 (E_RNA) where: Base-Base interactions energy: -31.070 where: short stacking energy: -21.804 Base-Backbone interact. energy: -0.009 local terms energy: -35.886229 where: bonds (distance) C4'-P energy: -7.391 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -10.039 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -6.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -59.410632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.410632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.410632 (E_RNA) where: Base-Base interactions energy: -23.051 where: short stacking energy: -23.030 Base-Backbone interact. energy: -0.002 local terms energy: -36.357877 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -6.595 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -52.456181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.456181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.456181 (E_RNA) where: Base-Base interactions energy: -23.130 where: short stacking energy: -22.843 Base-Backbone interact. energy: -0.094 local terms energy: -29.231441 where: bonds (distance) C4'-P energy: -7.023 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -6.337 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -53.640265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.640265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.640265 (E_RNA) where: Base-Base interactions energy: -21.772 where: short stacking energy: -17.445 Base-Backbone interact. energy: -0.802 local terms energy: -31.065907 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: 0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -115.498512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.498512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.498512 (E_RNA) where: Base-Base interactions energy: -80.850 where: short stacking energy: -28.760 Base-Backbone interact. energy: 0.422 local terms energy: -35.070985 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -119.168183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.168183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.168183 (E_RNA) where: Base-Base interactions energy: -75.364 where: short stacking energy: -30.261 Base-Backbone interact. energy: -0.001 local terms energy: -43.802478 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -10.539 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -111.257799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.257799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.257799 (E_RNA) where: Base-Base interactions energy: -70.249 where: short stacking energy: -31.236 Base-Backbone interact. energy: -0.184 local terms energy: -40.824551 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -8.820 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -5.577 tors. eta vs tors. theta energy: -8.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -107.772595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.772595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.772595 (E_RNA) where: Base-Base interactions energy: -67.922 where: short stacking energy: -32.000 Base-Backbone interact. energy: -0.723 local terms energy: -39.127452 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -10.461 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -7.439 tors. eta vs tors. theta energy: -7.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -105.615094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.615094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.615094 (E_RNA) where: Base-Base interactions energy: -67.921 where: short stacking energy: -32.513 Base-Backbone interact. energy: -0.009 local terms energy: -37.685582 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -6.989 flat angles C4'-P-C4' energy: -9.469 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -8.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -54.341704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.341704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.341704 (E_RNA) where: Base-Base interactions energy: -30.487 where: short stacking energy: -20.767 Base-Backbone interact. energy: -0.031 local terms energy: -23.824280 where: bonds (distance) C4'-P energy: -5.164 bonds (distance) P-C4' energy: -8.299 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: 0.233 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -55.796373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.796373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.796373 (E_RNA) where: Base-Base interactions energy: -24.338 where: short stacking energy: -24.338 Base-Backbone interact. energy: -0.001 local terms energy: -31.457660 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -1.901 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -5.792 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: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -56.513769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.513769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.513769 (E_RNA) where: Base-Base interactions energy: -30.155 where: short stacking energy: -24.024 Base-Backbone interact. energy: 0.074 local terms energy: -26.432688 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -3.429 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -53.008056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.008056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.008056 (E_RNA) where: Base-Base interactions energy: -21.531 where: short stacking energy: -20.740 Base-Backbone interact. energy: -0.015 local terms energy: -31.461935 where: bonds (distance) C4'-P energy: -3.728 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -8.739 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -67.223463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.223463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.223463 (E_RNA) where: Base-Base interactions energy: -38.780 where: short stacking energy: -15.698 Base-Backbone interact. energy: -1.403 local terms energy: -27.040330 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -6.059 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: 0.853 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: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -117.249404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.249404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.249404 (E_RNA) where: Base-Base interactions energy: -73.345 where: short stacking energy: -33.363 Base-Backbone interact. energy: -0.615 local terms energy: -43.290205 where: bonds (distance) C4'-P energy: -9.428 bonds (distance) P-C4' energy: -9.394 flat angles C4'-P-C4' energy: -9.287 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -7.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -121.444829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.444829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.444829 (E_RNA) where: Base-Base interactions energy: -81.672 where: short stacking energy: -29.293 Base-Backbone interact. energy: -0.153 local terms energy: -39.619676 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.016 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -116.320782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.320782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.320782 (E_RNA) where: Base-Base interactions energy: -76.273 where: short stacking energy: -28.419 Base-Backbone interact. energy: -0.043 local terms energy: -40.004732 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -113.348506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.348506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.348506 (E_RNA) where: Base-Base interactions energy: -79.543 where: short stacking energy: -31.116 Base-Backbone interact. energy: -0.033 local terms energy: -33.772664 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -2.021 tors. eta vs tors. theta energy: -9.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -107.543596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.543596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.543596 (E_RNA) where: Base-Base interactions energy: -63.056 where: short stacking energy: -29.962 Base-Backbone interact. energy: -0.074 local terms energy: -44.413430 where: bonds (distance) C4'-P energy: -8.216 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -58.077099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.077099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.077099 (E_RNA) where: Base-Base interactions energy: -23.898 where: short stacking energy: -23.898 Base-Backbone interact. energy: -0.038 local terms energy: -34.141147 where: bonds (distance) C4'-P energy: -8.488 bonds (distance) P-C4' energy: -7.455 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -59.891105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.891105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.891105 (E_RNA) where: Base-Base interactions energy: -17.349 where: short stacking energy: -12.185 Base-Backbone interact. energy: -0.000 local terms energy: -42.542128 where: bonds (distance) C4'-P energy: -10.355 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -9.215 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -7.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -63.946056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.946056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.946056 (E_RNA) where: Base-Base interactions energy: -40.237 where: short stacking energy: -19.227 Base-Backbone interact. energy: -0.095 local terms energy: -23.614861 where: bonds (distance) C4'-P energy: -8.169 bonds (distance) P-C4' energy: -4.080 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: 1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -50.004066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.004066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.004066 (E_RNA) where: Base-Base interactions energy: -21.647 where: short stacking energy: -21.647 Base-Backbone interact. energy: -0.004 local terms energy: -28.353194 where: bonds (distance) C4'-P energy: -7.586 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -1.508 tors. eta vs tors. theta energy: -6.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -65.188200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.188200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.188200 (E_RNA) where: Base-Base interactions energy: -35.106 where: short stacking energy: -16.265 Base-Backbone interact. energy: -0.017 local terms energy: -30.064659 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -9.040 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -124.465553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.465553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.465553 (E_RNA) where: Base-Base interactions energy: -85.432 where: short stacking energy: -32.508 Base-Backbone interact. energy: -0.014 local terms energy: -39.018692 where: bonds (distance) C4'-P energy: -8.778 bonds (distance) P-C4' energy: -6.970 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -11.687 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: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -114.169902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.169902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.169902 (E_RNA) where: Base-Base interactions energy: -71.254 where: short stacking energy: -30.899 Base-Backbone interact. energy: -0.707 local terms energy: -42.209271 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -9.591 flat angles P-C4'-P energy: -6.056 tors. eta vs tors. theta energy: -9.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -114.635713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.635713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.635713 (E_RNA) where: Base-Base interactions energy: -73.104 where: short stacking energy: -33.223 Base-Backbone interact. energy: -0.030 local terms energy: -41.500988 where: bonds (distance) C4'-P energy: -8.563 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -11.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -110.251164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.251164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.251164 (E_RNA) where: Base-Base interactions energy: -71.566 where: short stacking energy: -31.717 Base-Backbone interact. energy: -0.409 local terms energy: -38.275586 where: bonds (distance) C4'-P energy: -9.399 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -7.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -114.973682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.973682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.973682 (E_RNA) where: Base-Base interactions energy: -75.706 where: short stacking energy: -33.595 Base-Backbone interact. energy: -0.097 local terms energy: -39.169771 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -9.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -57.593456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.593456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.593456 (E_RNA) where: Base-Base interactions energy: -20.018 where: short stacking energy: -20.018 Base-Backbone interact. energy: -0.009 local terms energy: -37.565917 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -9.995 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -54.469215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.469215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.469215 (E_RNA) where: Base-Base interactions energy: -18.295 where: short stacking energy: -7.225 Base-Backbone interact. energy: -1.200 local terms energy: -34.974750 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -9.987 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -54.783674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.783674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.783674 (E_RNA) where: Base-Base interactions energy: -20.851 where: short stacking energy: -20.851 Base-Backbone interact. energy: -0.104 local terms energy: -33.828586 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -7.296 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -51.730222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.730222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.730222 (E_RNA) where: Base-Base interactions energy: -23.300 where: short stacking energy: -12.559 Base-Backbone interact. energy: -0.354 local terms energy: -28.075412 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -52.527563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.527563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.527563 (E_RNA) where: Base-Base interactions energy: -18.399 where: short stacking energy: -18.399 Base-Backbone interact. energy: -0.102 local terms energy: -34.026083 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -1.126 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: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -111.199763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.199763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.199763 (E_RNA) where: Base-Base interactions energy: -72.250 where: short stacking energy: -28.605 Base-Backbone interact. energy: -0.004 local terms energy: -38.945421 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -6.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -110.754946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.754946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.754946 (E_RNA) where: Base-Base interactions energy: -70.284 where: short stacking energy: -29.661 Base-Backbone interact. energy: -0.198 local terms energy: -40.272616 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -8.763 flat angles C4'-P-C4' energy: -9.446 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -8.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -118.533854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.533854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.533854 (E_RNA) where: Base-Base interactions energy: -79.797 where: short stacking energy: -33.362 Base-Backbone interact. energy: -0.606 local terms energy: -38.131170 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -7.570 flat angles C4'-P-C4' energy: -9.001 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -109.681904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.681904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.681904 (E_RNA) where: Base-Base interactions energy: -70.991 where: short stacking energy: -33.364 Base-Backbone interact. energy: -0.605 local terms energy: -38.085947 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -10.352 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -7.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -114.096393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.096393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.096393 (E_RNA) where: Base-Base interactions energy: -66.998 where: short stacking energy: -31.528 Base-Backbone interact. energy: -1.860 local terms energy: -45.238093 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -8.483 tors. eta vs tors. theta energy: -9.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -56.259343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.259343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.259343 (E_RNA) where: Base-Base interactions energy: -26.572 where: short stacking energy: -18.273 Base-Backbone interact. energy: -0.068 local terms energy: -29.619725 where: bonds (distance) C4'-P energy: -7.329 bonds (distance) P-C4' energy: -7.970 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -58.509347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.509347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.509347 (E_RNA) where: Base-Base interactions energy: -22.047 where: short stacking energy: -22.047 Base-Backbone interact. energy: -0.002 local terms energy: -36.459591 where: bonds (distance) C4'-P energy: -6.493 bonds (distance) P-C4' energy: -6.342 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -50.495297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.495297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.495297 (E_RNA) where: Base-Base interactions energy: -23.018 where: short stacking energy: -17.424 Base-Backbone interact. energy: -0.016 local terms energy: -27.460937 where: bonds (distance) C4'-P energy: -7.788 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: 1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -50.137841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.137841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.137841 (E_RNA) where: Base-Base interactions energy: -21.603 where: short stacking energy: -20.486 Base-Backbone interact. energy: -0.179 local terms energy: -28.355808 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -10.923 flat angles C4'-P-C4' energy: -8.680 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: 2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -49.085855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.085855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.085855 (E_RNA) where: Base-Base interactions energy: -17.839 where: short stacking energy: -13.640 Base-Backbone interact. energy: -0.490 local terms energy: -30.757074 where: bonds (distance) C4'-P energy: -9.038 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -8.297 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: 0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -112.612880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.612880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.612880 (E_RNA) where: Base-Base interactions energy: -71.347 where: short stacking energy: -28.569 Base-Backbone interact. energy: -0.321 local terms energy: -40.944491 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -10.208 flat angles C4'-P-C4' energy: -10.094 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -111.425742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.425742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.425742 (E_RNA) where: Base-Base interactions energy: -71.017 where: short stacking energy: -32.145 Base-Backbone interact. energy: -0.101 local terms energy: -40.308550 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -7.672 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -8.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -111.064847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.064847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.064847 (E_RNA) where: Base-Base interactions energy: -74.427 where: short stacking energy: -30.758 Base-Backbone interact. energy: -0.012 local terms energy: -36.626036 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -10.051 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -115.352010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.352010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.352010 (E_RNA) where: Base-Base interactions energy: -74.093 where: short stacking energy: -33.491 Base-Backbone interact. energy: -0.002 local terms energy: -41.256156 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -9.003 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -7.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -112.741261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.741261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.741261 (E_RNA) where: Base-Base interactions energy: -75.488 where: short stacking energy: -31.184 Base-Backbone interact. energy: -0.001 local terms energy: -37.252621 where: bonds (distance) C4'-P energy: -8.940 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -6.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -78.286715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.286715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.286715 (E_RNA) where: Base-Base interactions energy: -45.425 where: short stacking energy: -15.957 Base-Backbone interact. energy: -0.094 local terms energy: -32.768624 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -1.693 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: 248 Temperature: 1.200000 Total energy: -52.278719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.278719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.278719 (E_RNA) where: Base-Base interactions energy: -23.975 where: short stacking energy: -19.502 Base-Backbone interact. energy: -0.259 local terms energy: -28.044749 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -7.028 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -1.221 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: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -62.378496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.378496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.378496 (E_RNA) where: Base-Base interactions energy: -25.487 where: short stacking energy: -17.291 Base-Backbone interact. energy: -0.018 local terms energy: -36.873039 where: bonds (distance) C4'-P energy: -8.472 bonds (distance) P-C4' energy: -8.856 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -57.769170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.769170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.769170 (E_RNA) where: Base-Base interactions energy: -22.845 where: short stacking energy: -22.845 Base-Backbone interact. energy: -0.005 local terms energy: -34.918989 where: bonds (distance) C4'-P energy: -8.679 bonds (distance) P-C4' energy: -9.724 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -49.980458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.980458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.980458 (E_RNA) where: Base-Base interactions energy: -20.683 where: short stacking energy: -20.683 Base-Backbone interact. energy: -0.153 local terms energy: -29.144392 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -7.379 flat angles C4'-P-C4' energy: -7.663 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -2.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -118.343366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.343366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.343366 (E_RNA) where: Base-Base interactions energy: -82.067 where: short stacking energy: -28.016 Base-Backbone interact. energy: -0.414 local terms energy: -35.862455 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -9.809 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -1.711 tors. eta vs tors. theta energy: -10.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -116.385938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.385938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.385938 (E_RNA) where: Base-Base interactions energy: -80.381 where: short stacking energy: -37.063 Base-Backbone interact. energy: -0.066 local terms energy: -35.939295 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -9.627 flat angles P-C4'-P energy: -2.443 tors. eta vs tors. theta energy: -9.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -109.998437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.998437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.998437 (E_RNA) where: Base-Base interactions energy: -75.193 where: short stacking energy: -33.450 Base-Backbone interact. energy: -0.302 local terms energy: -34.503702 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -8.104 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -0.698 tors. eta vs tors. theta energy: -8.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -112.126978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.126978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.126978 (E_RNA) where: Base-Base interactions energy: -72.113 where: short stacking energy: -30.001 Base-Backbone interact. energy: 0.549 local terms energy: -40.563671 where: bonds (distance) C4'-P energy: -7.769 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -9.904 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -6.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -105.004262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.004262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.004262 (E_RNA) where: Base-Base interactions energy: -67.062 where: short stacking energy: -30.370 Base-Backbone interact. energy: -0.210 local terms energy: -37.732864 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -9.827 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -5.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -72.782501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.782501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.782501 (E_RNA) where: Base-Base interactions energy: -33.789 where: short stacking energy: -29.330 Base-Backbone interact. energy: -0.184 local terms energy: -38.809486 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -10.500 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: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -63.357346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.357346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.357346 (E_RNA) where: Base-Base interactions energy: -31.109 where: short stacking energy: -16.684 Base-Backbone interact. energy: -0.338 local terms energy: -31.909861 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -8.474 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -67.247718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.247718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.247718 (E_RNA) where: Base-Base interactions energy: -36.976 where: short stacking energy: -20.902 Base-Backbone interact. energy: -0.094 local terms energy: -30.177471 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -9.046 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -2.251 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -57.723440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.723440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.723440 (E_RNA) where: Base-Base interactions energy: -25.821 where: short stacking energy: -20.162 Base-Backbone interact. energy: -0.034 local terms energy: -31.868812 where: bonds (distance) C4'-P energy: -8.223 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -5.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -56.615236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.615236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.615236 (E_RNA) where: Base-Base interactions energy: -21.018 where: short stacking energy: -19.777 Base-Backbone interact. energy: -0.001 local terms energy: -35.596297 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -4.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -119.661080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.661080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.661080 (E_RNA) where: Base-Base interactions energy: -81.357 where: short stacking energy: -31.769 Base-Backbone interact. energy: -0.007 local terms energy: -38.296961 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -1.712 tors. eta vs tors. theta energy: -8.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -111.992782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.992782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.992782 (E_RNA) where: Base-Base interactions energy: -75.428 where: short stacking energy: -30.043 Base-Backbone interact. energy: -0.014 local terms energy: -36.550762 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -8.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -106.337972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.337972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.337972 (E_RNA) where: Base-Base interactions energy: -75.974 where: short stacking energy: -29.696 Base-Backbone interact. energy: -0.004 local terms energy: -30.360244 where: bonds (distance) C4'-P energy: -8.099 bonds (distance) P-C4' energy: -7.669 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -0.680 tors. eta vs tors. theta energy: -7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -108.293024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.293024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.293024 (E_RNA) where: Base-Base interactions energy: -66.482 where: short stacking energy: -28.128 Base-Backbone interact. energy: -0.092 local terms energy: -41.719557 where: bonds (distance) C4'-P energy: -8.438 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -8.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -104.542780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.542780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.542780 (E_RNA) where: Base-Base interactions energy: -68.125 where: short stacking energy: -24.358 Base-Backbone interact. energy: -0.346 local terms energy: -36.071547 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -6.920 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -5.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -62.299028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.299028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.299028 (E_RNA) where: Base-Base interactions energy: -35.281 where: short stacking energy: -14.428 Base-Backbone interact. energy: -0.309 local terms energy: -26.708537 where: bonds (distance) C4'-P energy: -5.048 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -55.495383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.495383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.495383 (E_RNA) where: Base-Base interactions energy: -18.107 where: short stacking energy: -18.107 Base-Backbone interact. energy: -0.007 local terms energy: -37.381966 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -8.279 flat angles C4'-P-C4' energy: -9.107 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -53.815524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.815524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.815524 (E_RNA) where: Base-Base interactions energy: -20.450 where: short stacking energy: -14.940 Base-Backbone interact. energy: -1.079 local terms energy: -32.286527 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -9.485 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -2.531 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: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -48.266800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.266800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.266800 (E_RNA) where: Base-Base interactions energy: -16.982 where: short stacking energy: -8.043 Base-Backbone interact. energy: -0.126 local terms energy: -31.159159 where: bonds (distance) C4'-P energy: -8.811 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -55.896278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.896278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.896278 (E_RNA) where: Base-Base interactions energy: -28.501 where: short stacking energy: -21.476 Base-Backbone interact. energy: -0.003 local terms energy: -27.393040 where: bonds (distance) C4'-P energy: -4.424 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -121.771892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.771892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.771892 (E_RNA) where: Base-Base interactions energy: -81.375 where: short stacking energy: -31.891 Base-Backbone interact. energy: -0.000 local terms energy: -40.397210 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: -10.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -114.101753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.101753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.101753 (E_RNA) where: Base-Base interactions energy: -78.420 where: short stacking energy: -31.525 Base-Backbone interact. energy: -0.446 local terms energy: -35.235596 where: bonds (distance) C4'-P energy: -8.608 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -6.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -112.126813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.126813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.126813 (E_RNA) where: Base-Base interactions energy: -71.867 where: short stacking energy: -31.730 Base-Backbone interact. energy: -0.007 local terms energy: -40.252492 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -9.972 flat angles C4'-P-C4' energy: -10.152 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -6.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -105.180168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.180168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.180168 (E_RNA) where: Base-Base interactions energy: -63.620 where: short stacking energy: -25.002 Base-Backbone interact. energy: -0.146 local terms energy: -41.413793 where: bonds (distance) C4'-P energy: -9.035 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -105.601993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.601993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.601993 (E_RNA) where: Base-Base interactions energy: -68.944 where: short stacking energy: -30.846 Base-Backbone interact. energy: -0.801 local terms energy: -35.857352 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -5.885 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -6.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -82.737141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.737141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.737141 (E_RNA) where: Base-Base interactions energy: -46.426 where: short stacking energy: -21.077 Base-Backbone interact. energy: -0.401 local terms energy: -35.910013 where: bonds (distance) C4'-P energy: -6.903 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -6.798 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -56.415733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.415733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.415733 (E_RNA) where: Base-Base interactions energy: -21.589 where: short stacking energy: -15.103 Base-Backbone interact. energy: -0.047 local terms energy: -34.780338 where: bonds (distance) C4'-P energy: -9.412 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -10.769 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -57.647682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.647682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.647682 (E_RNA) where: Base-Base interactions energy: -20.363 where: short stacking energy: -18.396 Base-Backbone interact. energy: -0.266 local terms energy: -37.018540 where: bonds (distance) C4'-P energy: -8.488 bonds (distance) P-C4' energy: -9.245 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -59.001907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.001907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.001907 (E_RNA) where: Base-Base interactions energy: -23.093 where: short stacking energy: -16.096 Base-Backbone interact. energy: -0.312 local terms energy: -35.596989 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -4.592 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -8.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -46.165672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.165672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.165672 (E_RNA) where: Base-Base interactions energy: -21.608 where: short stacking energy: -8.995 Base-Backbone interact. energy: -0.214 local terms energy: -24.343555 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -6.624 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -112.423434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.423434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.423434 (E_RNA) where: Base-Base interactions energy: -75.145 where: short stacking energy: -29.008 Base-Backbone interact. energy: -0.144 local terms energy: -37.133779 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -7.648 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: 252 Temperature: 0.950000 Total energy: -119.236414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.236414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.236414 (E_RNA) where: Base-Base interactions energy: -81.172 where: short stacking energy: -31.967 Base-Backbone interact. energy: -0.024 local terms energy: -38.040839 where: bonds (distance) C4'-P energy: -10.570 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -0.907 tors. eta vs tors. theta energy: -9.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -114.820043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.820043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.820043 (E_RNA) where: Base-Base interactions energy: -74.397 where: short stacking energy: -34.846 Base-Backbone interact. energy: -0.076 local terms energy: -40.346796 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -7.540 tors. eta vs tors. theta energy: -7.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -116.593434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.593434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.593434 (E_RNA) where: Base-Base interactions energy: -81.844 where: short stacking energy: -36.532 Base-Backbone interact. energy: 0.509 local terms energy: -35.258751 where: bonds (distance) C4'-P energy: -9.639 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -2.621 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: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -109.230403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.230403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.230403 (E_RNA) where: Base-Base interactions energy: -71.395 where: short stacking energy: -28.911 Base-Backbone interact. energy: -0.636 local terms energy: -37.199699 where: bonds (distance) C4'-P energy: -6.410 bonds (distance) P-C4' energy: -6.831 flat angles C4'-P-C4' energy: -8.244 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -6.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -64.774299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.774299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.774299 (E_RNA) where: Base-Base interactions energy: -28.110 where: short stacking energy: -19.180 Base-Backbone interact. energy: -0.250 local terms energy: -36.414120 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -9.708 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -54.991984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.991984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.991984 (E_RNA) where: Base-Base interactions energy: -25.658 where: short stacking energy: -25.658 Base-Backbone interact. energy: 3.740 local terms energy: -33.074031 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -10.481 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -56.710119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.710119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.710119 (E_RNA) where: Base-Base interactions energy: -25.024 where: short stacking energy: -19.652 Base-Backbone interact. energy: -0.474 local terms energy: -31.212200 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -55.571260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.571260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.571260 (E_RNA) where: Base-Base interactions energy: -22.071 where: short stacking energy: -10.668 Base-Backbone interact. energy: -0.123 local terms energy: -33.376939 where: bonds (distance) C4'-P energy: -6.948 bonds (distance) P-C4' energy: -6.961 flat angles C4'-P-C4' energy: -10.093 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -48.872507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.872507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.872507 (E_RNA) where: Base-Base interactions energy: -19.232 where: short stacking energy: -10.268 Base-Backbone interact. energy: -0.386 local terms energy: -29.254583 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: 3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -119.644658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.644658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.644658 (E_RNA) where: Base-Base interactions energy: -79.964 where: short stacking energy: -34.314 Base-Backbone interact. energy: -0.001 local terms energy: -39.679477 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -118.664103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.664103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.664103 (E_RNA) where: Base-Base interactions energy: -78.077 where: short stacking energy: -33.678 Base-Backbone interact. energy: -0.067 local terms energy: -40.519589 where: bonds (distance) C4'-P energy: -7.532 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -10.214 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -8.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -106.240157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.240157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.240157 (E_RNA) where: Base-Base interactions energy: -65.518 where: short stacking energy: -25.892 Base-Backbone interact. energy: -0.011 local terms energy: -40.711691 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -10.236 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -7.823 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: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -115.593666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.593666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.593666 (E_RNA) where: Base-Base interactions energy: -74.910 where: short stacking energy: -34.033 Base-Backbone interact. energy: -0.027 local terms energy: -40.657095 where: bonds (distance) C4'-P energy: -8.377 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -108.497388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.497388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.497388 (E_RNA) where: Base-Base interactions energy: -70.461 where: short stacking energy: -30.555 Base-Backbone interact. energy: -0.072 local terms energy: -37.963505 where: bonds (distance) C4'-P energy: -5.615 bonds (distance) P-C4' energy: -9.128 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -9.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -55.860343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.860343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.860343 (E_RNA) where: Base-Base interactions energy: -18.115 where: short stacking energy: -18.115 Base-Backbone interact. energy: -0.019 local terms energy: -37.726754 where: bonds (distance) C4'-P energy: -10.048 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -5.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -60.814518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.814518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.814518 (E_RNA) where: Base-Base interactions energy: -28.378 where: short stacking energy: -15.148 Base-Backbone interact. energy: -0.135 local terms energy: -32.301429 where: bonds (distance) C4'-P energy: -8.976 bonds (distance) P-C4' energy: -7.649 flat angles C4'-P-C4' energy: -10.891 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -53.659111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.659111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.659111 (E_RNA) where: Base-Base interactions energy: -26.917 where: short stacking energy: -16.853 Base-Backbone interact. energy: -0.003 local terms energy: -26.738863 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -5.402 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -7.639 tors. eta vs tors. theta energy: 1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -57.549914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.549914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.549914 (E_RNA) where: Base-Base interactions energy: -32.842 where: short stacking energy: -5.377 Base-Backbone interact. energy: -0.042 local terms energy: -24.665254 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -9.389 flat angles C4'-P-C4' energy: -9.265 flat angles P-C4'-P energy: -1.918 tors. eta vs tors. theta energy: 2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -46.999419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.999419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.999419 (E_RNA) where: Base-Base interactions energy: -16.797 where: short stacking energy: -15.399 Base-Backbone interact. energy: -0.743 local terms energy: -29.460034 where: bonds (distance) C4'-P energy: -8.029 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: 0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -110.581642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.581642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.581642 (E_RNA) where: Base-Base interactions energy: -75.388 where: short stacking energy: -26.398 Base-Backbone interact. energy: -0.152 local terms energy: -35.040864 where: bonds (distance) C4'-P energy: -9.149 bonds (distance) P-C4' energy: -9.193 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -1.133 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -121.011207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.011207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.011207 (E_RNA) where: Base-Base interactions energy: -77.593 where: short stacking energy: -31.220 Base-Backbone interact. energy: -0.604 local terms energy: -42.814393 where: bonds (distance) C4'-P energy: -8.944 bonds (distance) P-C4' energy: -8.070 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -7.887 tors. eta vs tors. theta energy: -8.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -107.867294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.867294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.867294 (E_RNA) where: Base-Base interactions energy: -69.200 where: short stacking energy: -29.982 Base-Backbone interact. energy: -0.404 local terms energy: -38.263104 where: bonds (distance) C4'-P energy: -4.940 bonds (distance) P-C4' energy: -9.757 flat angles C4'-P-C4' energy: -8.505 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -8.980 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: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -110.107693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.107693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.107693 (E_RNA) where: Base-Base interactions energy: -72.637 where: short stacking energy: -34.045 Base-Backbone interact. energy: -0.009 local terms energy: -37.461153 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -9.313 flat angles C4'-P-C4' energy: -9.835 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -66.439638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.439638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.439638 (E_RNA) where: Base-Base interactions energy: -25.211 where: short stacking energy: -25.211 Base-Backbone interact. energy: -0.002 local terms energy: -41.226962 where: bonds (distance) C4'-P energy: -8.385 bonds (distance) P-C4' energy: -8.394 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -9.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -105.139995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.139995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.139995 (E_RNA) where: Base-Base interactions energy: -66.748 where: short stacking energy: -29.477 Base-Backbone interact. energy: -0.001 local terms energy: -38.390839 where: bonds (distance) C4'-P energy: -6.029 bonds (distance) P-C4' energy: -9.699 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -8.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -51.971776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.971776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.971776 (E_RNA) where: Base-Base interactions energy: -22.748 where: short stacking energy: -15.727 Base-Backbone interact. energy: -0.734 local terms energy: -28.489608 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -2.184 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: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -55.966164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.966164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.966164 (E_RNA) where: Base-Base interactions energy: -25.108 where: short stacking energy: -18.513 Base-Backbone interact. energy: -1.273 local terms energy: -29.585067 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -48.669267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.669267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.669267 (E_RNA) where: Base-Base interactions energy: -17.199 where: short stacking energy: -15.046 Base-Backbone interact. energy: -0.071 local terms energy: -31.399745 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -8.874 flat angles C4'-P-C4' energy: -9.202 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -2.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -56.290322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.290322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.290322 (E_RNA) where: Base-Base interactions energy: -22.397 where: short stacking energy: -21.840 Base-Backbone interact. energy: -0.091 local terms energy: -33.801481 where: bonds (distance) C4'-P energy: -5.383 bonds (distance) P-C4' energy: -10.290 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -114.089522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.089522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.089522 (E_RNA) where: Base-Base interactions energy: -70.635 where: short stacking energy: -33.721 Base-Backbone interact. energy: -0.887 local terms energy: -42.567626 where: bonds (distance) C4'-P energy: -8.761 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -7.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -113.883413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.883413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.883413 (E_RNA) where: Base-Base interactions energy: -75.481 where: short stacking energy: -31.594 Base-Backbone interact. energy: -0.001 local terms energy: -38.401142 where: bonds (distance) C4'-P energy: -8.351 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -8.500 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: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -110.303970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.303970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.303970 (E_RNA) where: Base-Base interactions energy: -68.113 where: short stacking energy: -32.494 Base-Backbone interact. energy: -0.059 local terms energy: -42.131863 where: bonds (distance) C4'-P energy: -7.888 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -9.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -107.417384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.417384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.417384 (E_RNA) where: Base-Base interactions energy: -70.937 where: short stacking energy: -28.611 Base-Backbone interact. energy: -0.030 local terms energy: -36.450579 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -7.193 flat angles C4'-P-C4' energy: -10.493 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -59.828956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.828956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.828956 (E_RNA) where: Base-Base interactions energy: -27.222 where: short stacking energy: -14.651 Base-Backbone interact. energy: -0.072 local terms energy: -32.535052 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -9.768 flat angles C4'-P-C4' energy: -9.118 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -63.409614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.409614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.409614 (E_RNA) where: Base-Base interactions energy: -29.177 where: short stacking energy: -21.733 Base-Backbone interact. energy: -0.010 local terms energy: -34.222477 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -9.771 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -101.068100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.068100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.068100 (E_RNA) where: Base-Base interactions energy: -66.350 where: short stacking energy: -22.152 Base-Backbone interact. energy: -0.007 local terms energy: -34.710578 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -8.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -54.028240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.028240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.028240 (E_RNA) where: Base-Base interactions energy: -20.621 where: short stacking energy: -13.527 Base-Backbone interact. energy: -1.226 local terms energy: -32.181623 where: bonds (distance) C4'-P energy: -8.285 bonds (distance) P-C4' energy: -10.112 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -4.238 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: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -50.598042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.598042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.598042 (E_RNA) where: Base-Base interactions energy: -15.789 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.051 local terms energy: -34.758571 where: bonds (distance) C4'-P energy: -8.252 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -44.316085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.316085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.316085 (E_RNA) where: Base-Base interactions energy: -10.589 where: short stacking energy: -9.445 Base-Backbone interact. energy: -0.854 local terms energy: -32.872607 where: bonds (distance) C4'-P energy: -6.931 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -3.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -124.028668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.028668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.028668 (E_RNA) where: Base-Base interactions energy: -82.323 where: short stacking energy: -36.632 Base-Backbone interact. energy: -0.000 local terms energy: -41.705786 where: bonds (distance) C4'-P energy: -8.227 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -9.690 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -9.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -114.894389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.894389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.894389 (E_RNA) where: Base-Base interactions energy: -80.915 where: short stacking energy: -25.414 Base-Backbone interact. energy: -0.007 local terms energy: -33.972276 where: bonds (distance) C4'-P energy: -8.314 bonds (distance) P-C4' energy: -9.855 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: 0.740 tors. eta vs tors. theta energy: -9.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -110.715999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.715999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.715999 (E_RNA) where: Base-Base interactions energy: -69.474 where: short stacking energy: -27.382 Base-Backbone interact. energy: -0.022 local terms energy: -41.220534 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -11.427 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -4.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -116.150484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.150484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.150484 (E_RNA) where: Base-Base interactions energy: -74.269 where: short stacking energy: -33.751 Base-Backbone interact. energy: -0.579 local terms energy: -41.302113 where: bonds (distance) C4'-P energy: -8.402 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -9.199 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -64.930566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.930566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.930566 (E_RNA) where: Base-Base interactions energy: -26.608 where: short stacking energy: -26.544 Base-Backbone interact. energy: -0.149 local terms energy: -38.173736 where: bonds (distance) C4'-P energy: -9.085 bonds (distance) P-C4' energy: -10.200 flat angles C4'-P-C4' energy: -9.140 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -59.467340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.467340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.467340 (E_RNA) where: Base-Base interactions energy: -24.761 where: short stacking energy: -20.375 Base-Backbone interact. energy: 0.092 local terms energy: -34.798049 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -102.304087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.304087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.304087 (E_RNA) where: Base-Base interactions energy: -66.777 where: short stacking energy: -28.143 Base-Backbone interact. energy: -0.106 local terms energy: -35.421400 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -7.014 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: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -59.083257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.083257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.083257 (E_RNA) where: Base-Base interactions energy: -21.618 where: short stacking energy: -21.618 Base-Backbone interact. energy: -0.259 local terms energy: -37.206940 where: bonds (distance) C4'-P energy: -8.472 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -10.468 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -56.719664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.719664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.719664 (E_RNA) where: Base-Base interactions energy: -23.330 where: short stacking energy: -23.330 Base-Backbone interact. energy: -0.005 local terms energy: -33.384583 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -10.405 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -53.951842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.951842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.951842 (E_RNA) where: Base-Base interactions energy: -18.898 where: short stacking energy: -15.544 Base-Backbone interact. energy: -0.416 local terms energy: -34.637307 where: bonds (distance) C4'-P energy: -5.552 bonds (distance) P-C4' energy: -8.042 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: -7.270 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -124.120231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.120231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.120231 (E_RNA) where: Base-Base interactions energy: -82.863 where: short stacking energy: -33.827 Base-Backbone interact. energy: -0.001 local terms energy: -41.256459 where: bonds (distance) C4'-P energy: -8.430 bonds (distance) P-C4' energy: -8.910 flat angles C4'-P-C4' energy: -9.385 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -9.755 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: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -114.487099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.487099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.487099 (E_RNA) where: Base-Base interactions energy: -73.545 where: short stacking energy: -35.291 Base-Backbone interact. energy: -0.019 local terms energy: -40.923385 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -9.344 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -8.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -109.897307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.897307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.897307 (E_RNA) where: Base-Base interactions energy: -69.660 where: short stacking energy: -31.903 Base-Backbone interact. energy: -0.111 local terms energy: -40.125778 where: bonds (distance) C4'-P energy: -8.153 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -4.717 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: 4, replica: 10 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -110.394191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.394191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.394191 (E_RNA) where: Base-Base interactions energy: -69.676 where: short stacking energy: -26.641 Base-Backbone interact. energy: 0.109 local terms energy: -40.826992 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -6.209 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -76.549434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.549434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.549434 (E_RNA) where: Base-Base interactions energy: -42.005 where: short stacking energy: -24.643 Base-Backbone interact. energy: -0.001 local terms energy: -34.543433 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -9.724 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -6.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -110.308974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.308974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.308974 (E_RNA) where: Base-Base interactions energy: -66.754 where: short stacking energy: -30.039 Base-Backbone interact. energy: -0.628 local terms energy: -42.927838 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -10.351 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -12.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -62.141122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.141122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.141122 (E_RNA) where: Base-Base interactions energy: -31.074 where: short stacking energy: -21.324 Base-Backbone interact. energy: 0.249 local terms energy: -31.315899 where: bonds (distance) C4'-P energy: -5.412 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -6.071 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -52.466725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.466725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.466725 (E_RNA) where: Base-Base interactions energy: -17.931 where: short stacking energy: -17.931 Base-Backbone interact. energy: -0.003 local terms energy: -34.533131 where: bonds (distance) C4'-P energy: -7.751 bonds (distance) P-C4' energy: -7.542 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -3.281 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: 257 Temperature: 1.300000 Total energy: -58.225827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.225827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.225827 (E_RNA) where: Base-Base interactions energy: -33.690 where: short stacking energy: -14.718 Base-Backbone interact. energy: -0.579 local terms energy: -23.957291 where: bonds (distance) C4'-P energy: -7.826 bonds (distance) P-C4' energy: -4.763 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -1.081 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -45.983358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.983358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.983358 (E_RNA) where: Base-Base interactions energy: -15.367 where: short stacking energy: -15.367 Base-Backbone interact. energy: -0.002 local terms energy: -30.614450 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -10.122 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: 0.868 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: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -118.881133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.881133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.881133 (E_RNA) where: Base-Base interactions energy: -77.053 where: short stacking energy: -33.601 Base-Backbone interact. energy: -0.008 local terms energy: -41.819988 where: bonds (distance) C4'-P energy: -7.175 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -8.669 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -11.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -118.417339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.417339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.417339 (E_RNA) where: Base-Base interactions energy: -73.717 where: short stacking energy: -33.645 Base-Backbone interact. energy: -0.032 local terms energy: -44.668804 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -7.507 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -8.047 tors. eta vs tors. theta energy: -9.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -119.145975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.145975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.145975 (E_RNA) where: Base-Base interactions energy: -81.250 where: short stacking energy: -33.900 Base-Backbone interact. energy: -0.001 local terms energy: -37.895074 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -9.699 flat angles C4'-P-C4' energy: -9.148 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -8.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -117.011429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.011429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.011429 (E_RNA) where: Base-Base interactions energy: -77.817 where: short stacking energy: -33.657 Base-Backbone interact. energy: -0.003 local terms energy: -39.192094 where: bonds (distance) C4'-P energy: -8.145 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -8.579 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -7.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -109.188409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.188409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.188409 (E_RNA) where: Base-Base interactions energy: -77.705 where: short stacking energy: -32.501 Base-Backbone interact. energy: -0.001 local terms energy: -31.482781 where: bonds (distance) C4'-P energy: -2.907 bonds (distance) P-C4' energy: -9.126 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -67.176922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.176922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.176922 (E_RNA) where: Base-Base interactions energy: -30.441 where: short stacking energy: -30.311 Base-Backbone interact. energy: -0.043 local terms energy: -36.693026 where: bonds (distance) C4'-P energy: -8.261 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -6.881 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: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -55.226943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.226943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.226943 (E_RNA) where: Base-Base interactions energy: -31.667 where: short stacking energy: -24.249 Base-Backbone interact. energy: -0.277 local terms energy: -23.283136 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -7.920 flat angles C4'-P-C4' energy: -2.580 flat angles P-C4'-P energy: -3.415 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: 8, replica: 8 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -61.369842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.369842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.369842 (E_RNA) where: Base-Base interactions energy: -23.839 where: short stacking energy: -22.507 Base-Backbone interact. energy: -0.146 local terms energy: -37.384159 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -6.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -44.666683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.666683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.666683 (E_RNA) where: Base-Base interactions energy: -14.380 where: short stacking energy: -14.230 Base-Backbone interact. energy: -0.025 local terms energy: -30.261929 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -9.767 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -2.722 tors. eta vs tors. theta energy: -2.300 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: 10, replica: 9 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -47.316086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.316086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.316086 (E_RNA) where: Base-Base interactions energy: -19.452 where: short stacking energy: -7.735 Base-Backbone interact. energy: -0.036 local terms energy: -27.827495 where: bonds (distance) C4'-P energy: -7.806 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -9.051 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: 1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -121.395596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.395596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.395596 (E_RNA) where: Base-Base interactions energy: -82.996 where: short stacking energy: -32.850 Base-Backbone interact. energy: -0.026 local terms energy: -38.373400 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -1.711 tors. eta vs tors. theta energy: -9.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -113.421984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.421984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.421984 (E_RNA) where: Base-Base interactions energy: -71.843 where: short stacking energy: -29.483 Base-Backbone interact. energy: -0.230 local terms energy: -41.349757 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -9.275 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -6.950 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: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -119.958971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.958971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.958971 (E_RNA) where: Base-Base interactions energy: -82.808 where: short stacking energy: -33.244 Base-Backbone interact. energy: -0.016 local terms energy: -37.135275 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -9.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -106.980125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.980125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.980125 (E_RNA) where: Base-Base interactions energy: -67.101 where: short stacking energy: -31.306 Base-Backbone interact. energy: 1.066 local terms energy: -40.945183 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -8.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -101.658902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.658902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.658902 (E_RNA) where: Base-Base interactions energy: -62.833 where: short stacking energy: -27.478 Base-Backbone interact. energy: -0.051 local terms energy: -38.774972 where: bonds (distance) C4'-P energy: -7.735 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -9.976 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -58.443457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.443457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.443457 (E_RNA) where: Base-Base interactions energy: -24.179 where: short stacking energy: -21.306 Base-Backbone interact. energy: -0.081 local terms energy: -34.184009 where: bonds (distance) C4'-P energy: -7.790 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -59.111153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.111153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.111153 (E_RNA) where: Base-Base interactions energy: -22.325 where: short stacking energy: -22.325 Base-Backbone interact. energy: -0.087 local terms energy: -36.698581 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -8.991 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -7.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -61.192235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.192235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.192235 (E_RNA) where: Base-Base interactions energy: -35.719 where: short stacking energy: -17.693 Base-Backbone interact. energy: -0.054 local terms energy: -25.419037 where: bonds (distance) C4'-P energy: -8.351 bonds (distance) P-C4' energy: -5.145 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -1.548 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -65.503095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.503095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.503095 (E_RNA) where: Base-Base interactions energy: -23.058 where: short stacking energy: -23.001 Base-Backbone interact. energy: -0.001 local terms energy: -42.444488 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -7.114 tors. eta vs tors. theta energy: -8.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -49.327684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.327684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.327684 (E_RNA) where: Base-Base interactions energy: -12.184 where: short stacking energy: -12.184 Base-Backbone interact. energy: -0.027 local terms energy: -37.116669 where: bonds (distance) C4'-P energy: -9.382 bonds (distance) P-C4' energy: -9.771 flat angles C4'-P-C4' energy: -9.840 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -120.619609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.619609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.619609 (E_RNA) where: Base-Base interactions energy: -81.953 where: short stacking energy: -35.920 Base-Backbone interact. energy: -0.159 local terms energy: -38.508101 where: bonds (distance) C4'-P energy: -7.826 bonds (distance) P-C4' energy: -7.300 flat angles C4'-P-C4' energy: -9.593 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -7.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -121.675559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.675559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.675559 (E_RNA) where: Base-Base interactions energy: -80.668 where: short stacking energy: -29.843 Base-Backbone interact. energy: -0.020 local terms energy: -40.987493 where: bonds (distance) C4'-P energy: -9.527 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -9.359 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -9.148 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: 3, replica: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -118.037922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.037922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.037922 (E_RNA) where: Base-Base interactions energy: -82.681 where: short stacking energy: -35.931 Base-Backbone interact. energy: -0.003 local terms energy: -35.354264 where: bonds (distance) C4'-P energy: -6.448 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -10.303 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: 260 Temperature: 1.050000 Total energy: -109.379771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.379771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.379771 (E_RNA) where: Base-Base interactions energy: -65.742 where: short stacking energy: -29.119 Base-Backbone interact. energy: -0.001 local terms energy: -43.636753 where: bonds (distance) C4'-P energy: -8.223 bonds (distance) P-C4' energy: -11.603 flat angles C4'-P-C4' energy: -9.404 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -8.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -114.963017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.963017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.963017 (E_RNA) where: Base-Base interactions energy: -71.148 where: short stacking energy: -31.344 Base-Backbone interact. energy: -0.003 local terms energy: -43.811653 where: bonds (distance) C4'-P energy: -9.412 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -9.328 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -9.902 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: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -52.853588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.853588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.853588 (E_RNA) where: Base-Base interactions energy: -23.725 where: short stacking energy: -16.255 Base-Backbone interact. energy: 0.819 local terms energy: -29.946949 where: bonds (distance) C4'-P energy: -7.337 bonds (distance) P-C4' energy: -10.053 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -50.186990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.186990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.186990 (E_RNA) where: Base-Base interactions energy: -13.677 where: short stacking energy: -11.759 Base-Backbone interact. energy: 0.382 local terms energy: -36.891821 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -8.993 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -53.467244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.467244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.467244 (E_RNA) where: Base-Base interactions energy: -21.417 where: short stacking energy: -16.812 Base-Backbone interact. energy: 0.303 local terms energy: -32.352881 where: bonds (distance) C4'-P energy: -9.464 bonds (distance) P-C4' energy: -9.107 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -52.263245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.263245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.263245 (E_RNA) where: Base-Base interactions energy: -24.960 where: short stacking energy: -11.088 Base-Backbone interact. energy: 0.460 local terms energy: -27.763053 where: bonds (distance) C4'-P energy: -3.786 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -9.377 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -51.237527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.237527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.237527 (E_RNA) where: Base-Base interactions energy: -19.356 where: short stacking energy: -15.150 Base-Backbone interact. energy: -0.002 local terms energy: -31.879323 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -124.580431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.580431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.580431 (E_RNA) where: Base-Base interactions energy: -84.631 where: short stacking energy: -37.006 Base-Backbone interact. energy: -0.000 local terms energy: -39.948758 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -9.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -110.641701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.641701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.641701 (E_RNA) where: Base-Base interactions energy: -75.239 where: short stacking energy: -32.863 Base-Backbone interact. energy: -0.805 local terms energy: -34.597666 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -10.562 flat angles P-C4'-P energy: 0.671 tors. eta vs tors. theta energy: -7.478 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: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -116.938786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.938786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.938786 (E_RNA) where: Base-Base interactions energy: -76.020 where: short stacking energy: -31.334 Base-Backbone interact. energy: -0.410 local terms energy: -40.508818 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -10.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -108.913955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.913955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.913955 (E_RNA) where: Base-Base interactions energy: -70.567 where: short stacking energy: -33.204 Base-Backbone interact. energy: 1.630 local terms energy: -39.976911 where: bonds (distance) C4'-P energy: -7.744 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -8.397 flat angles P-C4'-P energy: -6.905 tors. eta vs tors. theta energy: -9.199 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: 261 Temperature: 1.100000 Total energy: -109.995905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.995905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.995905 (E_RNA) where: Base-Base interactions energy: -71.278 where: short stacking energy: -29.344 Base-Backbone interact. energy: -0.137 local terms energy: -38.580640 where: bonds (distance) C4'-P energy: -4.986 bonds (distance) P-C4' energy: -9.629 flat angles C4'-P-C4' energy: -9.012 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -6.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -63.650372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.650372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.650372 (E_RNA) where: Base-Base interactions energy: -24.595 where: short stacking energy: -24.595 Base-Backbone interact. energy: -0.001 local terms energy: -39.054324 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -8.066 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -7.045 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -72.057565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.057565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.057565 (E_RNA) where: Base-Base interactions energy: -36.927 where: short stacking energy: -15.503 Base-Backbone interact. energy: -0.684 local terms energy: -34.446517 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -9.218 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -7.770 tors. eta vs tors. theta energy: -5.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -55.484772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.484772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.484772 (E_RNA) where: Base-Base interactions energy: -20.073 where: short stacking energy: -20.073 Base-Backbone interact. energy: -0.050 local terms energy: -35.361780 where: bonds (distance) C4'-P energy: -10.069 bonds (distance) P-C4' energy: -7.446 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -53.870700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.870700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.870700 (E_RNA) where: Base-Base interactions energy: -13.766 where: short stacking energy: -13.766 Base-Backbone interact. energy: -0.046 local terms energy: -40.058024 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -9.973 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -5.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -51.842505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.842505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.842505 (E_RNA) where: Base-Base interactions energy: -24.234 where: short stacking energy: -20.606 Base-Backbone interact. energy: -0.265 local terms energy: -27.343210 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -9.599 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -114.607152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.607152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.607152 (E_RNA) where: Base-Base interactions energy: -75.974 where: short stacking energy: -35.095 Base-Backbone interact. energy: -0.045 local terms energy: -38.587260 where: bonds (distance) C4'-P energy: -8.546 bonds (distance) P-C4' energy: -9.541 flat angles C4'-P-C4' energy: -8.755 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -6.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -110.835483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.835483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.835483 (E_RNA) where: Base-Base interactions energy: -67.502 where: short stacking energy: -30.516 Base-Backbone interact. energy: -0.010 local terms energy: -43.323506 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -9.183 flat angles C4'-P-C4' energy: -9.722 flat angles P-C4'-P energy: -7.756 tors. eta vs tors. theta energy: -9.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -112.661811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.661811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.661811 (E_RNA) where: Base-Base interactions energy: -70.631 where: short stacking energy: -28.064 Base-Backbone interact. energy: -0.458 local terms energy: -41.572421 where: bonds (distance) C4'-P energy: -9.042 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -7.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -113.496815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.496815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.496815 (E_RNA) where: Base-Base interactions energy: -78.222 where: short stacking energy: -27.090 Base-Backbone interact. energy: -0.026 local terms energy: -35.248323 where: bonds (distance) C4'-P energy: -9.040 bonds (distance) P-C4' energy: -9.178 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -8.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -110.188709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.188709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.188709 (E_RNA) where: Base-Base interactions energy: -81.076 where: short stacking energy: -32.246 Base-Backbone interact. energy: -0.056 local terms energy: -29.055829 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -7.807 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -62.020320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.020320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.020320 (E_RNA) where: Base-Base interactions energy: -26.237 where: short stacking energy: -23.900 Base-Backbone interact. energy: -0.008 local terms energy: -35.774809 where: bonds (distance) C4'-P energy: -7.673 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: -4.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -57.683018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.683018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.683018 (E_RNA) where: Base-Base interactions energy: -23.647 where: short stacking energy: -23.402 Base-Backbone interact. energy: -0.024 local terms energy: -34.012168 where: bonds (distance) C4'-P energy: -9.217 bonds (distance) P-C4' energy: -7.991 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -52.462397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.462397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.462397 (E_RNA) where: Base-Base interactions energy: -20.594 where: short stacking energy: -19.866 Base-Backbone interact. energy: -0.001 local terms energy: -31.867950 where: bonds (distance) C4'-P energy: -8.480 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -8.977 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -43.607856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.607856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.607856 (E_RNA) where: Base-Base interactions energy: -13.759 where: short stacking energy: -9.182 Base-Backbone interact. energy: -0.172 local terms energy: -29.676715 where: bonds (distance) C4'-P energy: -8.435 bonds (distance) P-C4' energy: -10.290 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: 3.227 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: 262 Temperature: 1.350000 Total energy: -46.153782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.153782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.153782 (E_RNA) where: Base-Base interactions energy: -23.644 where: short stacking energy: -10.328 Base-Backbone interact. energy: -0.129 local terms energy: -22.380812 where: bonds (distance) C4'-P energy: -8.214 bonds (distance) P-C4' energy: -5.930 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -112.946508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.946508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.946508 (E_RNA) where: Base-Base interactions energy: -72.459 where: short stacking energy: -34.185 Base-Backbone interact. energy: -0.099 local terms energy: -40.388057 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -9.781 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -6.183 tors. eta vs tors. theta energy: -6.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -123.841015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.841015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.841015 (E_RNA) where: Base-Base interactions energy: -88.473 where: short stacking energy: -34.337 Base-Backbone interact. energy: -0.001 local terms energy: -35.367035 where: bonds (distance) C4'-P energy: -9.945 bonds (distance) P-C4' energy: -8.088 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -8.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -113.448468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.448468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.448468 (E_RNA) where: Base-Base interactions energy: -71.475 where: short stacking energy: -30.603 Base-Backbone interact. energy: -0.000 local terms energy: -41.972798 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -9.332 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: 263 Temperature: 1.050000 Total energy: -109.536421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.536421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.536421 (E_RNA) where: Base-Base interactions energy: -71.881 where: short stacking energy: -28.716 Base-Backbone interact. energy: -0.319 local terms energy: -37.336499 where: bonds (distance) C4'-P energy: -7.453 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -5.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -103.436662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.436662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.436662 (E_RNA) where: Base-Base interactions energy: -67.481 where: short stacking energy: -22.486 Base-Backbone interact. energy: -0.118 local terms energy: -35.838175 where: bonds (distance) C4'-P energy: -7.748 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -8.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -62.290646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.290646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.290646 (E_RNA) where: Base-Base interactions energy: -29.917 where: short stacking energy: -20.988 Base-Backbone interact. energy: -0.049 local terms energy: -32.324079 where: bonds (distance) C4'-P energy: -8.865 bonds (distance) P-C4' energy: -7.852 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -54.991648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.991648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.991648 (E_RNA) where: Base-Base interactions energy: -18.973 where: short stacking energy: -17.291 Base-Backbone interact. energy: -1.170 local terms energy: -34.848142 where: bonds (distance) C4'-P energy: -7.445 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -9.532 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -54.057504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.057504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.057504 (E_RNA) where: Base-Base interactions energy: -25.398 where: short stacking energy: -25.398 Base-Backbone interact. energy: -0.007 local terms energy: -28.653101 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -3.890 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -7.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -65.642303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.642303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.642303 (E_RNA) where: Base-Base interactions energy: -35.210 where: short stacking energy: -35.210 Base-Backbone interact. energy: -0.226 local terms energy: -30.206372 where: bonds (distance) C4'-P energy: -6.480 bonds (distance) P-C4' energy: -6.902 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -3.031 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -42.304422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.304422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.304422 (E_RNA) where: Base-Base interactions energy: -16.229 where: short stacking energy: -13.700 Base-Backbone interact. energy: -0.053 local terms energy: -26.021568 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -8.471 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: 2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -123.606735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.606735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.606735 (E_RNA) where: Base-Base interactions energy: -85.992 where: short stacking energy: -32.939 Base-Backbone interact. energy: -0.009 local terms energy: -37.605405 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -10.634 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -6.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -119.895814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.895814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.895814 (E_RNA) where: Base-Base interactions energy: -74.941 where: short stacking energy: -33.951 Base-Backbone interact. energy: -1.196 local terms energy: -43.758695 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -9.782 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -10.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -106.702212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.702212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.702212 (E_RNA) where: Base-Base interactions energy: -68.694 where: short stacking energy: -26.847 Base-Backbone interact. energy: -0.914 local terms energy: -37.094452 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -6.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -107.138954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.138954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.138954 (E_RNA) where: Base-Base interactions energy: -67.560 where: short stacking energy: -28.248 Base-Backbone interact. energy: 0.328 local terms energy: -39.907034 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -10.036 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -6.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -117.125368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.125368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.125368 (E_RNA) where: Base-Base interactions energy: -81.216 where: short stacking energy: -33.854 Base-Backbone interact. energy: -0.003 local terms energy: -35.906289 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -4.869 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: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -55.621566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.621566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.621566 (E_RNA) where: Base-Base interactions energy: -21.182 where: short stacking energy: -21.182 Base-Backbone interact. energy: -0.735 local terms energy: -33.704820 where: bonds (distance) C4'-P energy: -8.078 bonds (distance) P-C4' energy: -7.274 flat angles C4'-P-C4' energy: -9.316 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -57.180003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.180003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.180003 (E_RNA) where: Base-Base interactions energy: -23.571 where: short stacking energy: -23.571 Base-Backbone interact. energy: -0.003 local terms energy: -33.606463 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -48.481864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.481864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.481864 (E_RNA) where: Base-Base interactions energy: -19.164 where: short stacking energy: -18.991 Base-Backbone interact. energy: 0.465 local terms energy: -29.782553 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -8.077 flat angles C4'-P-C4' energy: -8.204 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -53.748539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.748539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.748539 (E_RNA) where: Base-Base interactions energy: -27.356 where: short stacking energy: -17.155 Base-Backbone interact. energy: -0.211 local terms energy: -26.181032 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -67.898176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.898176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.898176 (E_RNA) where: Base-Base interactions energy: -35.347 where: short stacking energy: -16.648 Base-Backbone interact. energy: -0.310 local terms energy: -32.240583 where: bonds (distance) C4'-P energy: -8.285 bonds (distance) P-C4' energy: -5.952 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -127.489554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.489554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.489554 (E_RNA) where: Base-Base interactions energy: -86.069 where: short stacking energy: -36.174 Base-Backbone interact. energy: -0.000 local terms energy: -41.420389 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -9.304 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -10.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -119.402876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.402876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.402876 (E_RNA) where: Base-Base interactions energy: -74.585 where: short stacking energy: -31.668 Base-Backbone interact. energy: -0.532 local terms energy: -44.285820 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -10.233 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -8.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -116.934003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.934003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.934003 (E_RNA) where: Base-Base interactions energy: -78.368 where: short stacking energy: -28.888 Base-Backbone interact. energy: -0.078 local terms energy: -38.488296 where: bonds (distance) C4'-P energy: -8.381 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -9.581 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -115.931914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.931914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.931914 (E_RNA) where: Base-Base interactions energy: -71.500 where: short stacking energy: -28.603 Base-Backbone interact. energy: -0.289 local terms energy: -44.143178 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -11.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -100.290855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.290855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.290855 (E_RNA) where: Base-Base interactions energy: -60.234 where: short stacking energy: -27.629 Base-Backbone interact. energy: -0.013 local terms energy: -40.043764 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -7.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -57.183832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.183832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.183832 (E_RNA) where: Base-Base interactions energy: -27.908 where: short stacking energy: -13.391 Base-Backbone interact. energy: -0.029 local terms energy: -29.246981 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.861 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -52.705403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.705403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.705403 (E_RNA) where: Base-Base interactions energy: -15.445 where: short stacking energy: -15.445 Base-Backbone interact. energy: -0.058 local terms energy: -37.202423 where: bonds (distance) C4'-P energy: -9.544 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -53.932714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.932714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.932714 (E_RNA) where: Base-Base interactions energy: -23.159 where: short stacking energy: -23.159 Base-Backbone interact. energy: -0.124 local terms energy: -30.649830 where: bonds (distance) C4'-P energy: -8.785 bonds (distance) P-C4' energy: -10.029 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -48.246275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.246275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.246275 (E_RNA) where: Base-Base interactions energy: -17.240 where: short stacking energy: -17.240 Base-Backbone interact. energy: -0.001 local terms energy: -31.005841 where: bonds (distance) C4'-P energy: -6.269 bonds (distance) P-C4' energy: -10.032 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -2.237 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -59.781250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.781250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.781250 (E_RNA) where: Base-Base interactions energy: -37.957 where: short stacking energy: -16.659 Base-Backbone interact. energy: -0.061 local terms energy: -21.763102 where: bonds (distance) C4'-P energy: -7.081 bonds (distance) P-C4' energy: -7.471 flat angles C4'-P-C4' energy: -2.450 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -122.694024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.694024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.694024 (E_RNA) where: Base-Base interactions energy: -81.328 where: short stacking energy: -37.308 Base-Backbone interact. energy: -0.022 local terms energy: -41.343745 where: bonds (distance) C4'-P energy: -8.786 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -2.294 tors. eta vs tors. theta energy: -11.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -126.575781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.575781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.575781 (E_RNA) where: Base-Base interactions energy: -84.973 where: short stacking energy: -37.050 Base-Backbone interact. energy: -0.005 local terms energy: -41.598393 where: bonds (distance) C4'-P energy: -9.370 bonds (distance) P-C4' energy: -9.631 flat angles C4'-P-C4' energy: -9.571 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -7.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -121.225467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.225467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.225467 (E_RNA) where: Base-Base interactions energy: -78.415 where: short stacking energy: -31.107 Base-Backbone interact. energy: -0.006 local terms energy: -42.804753 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -9.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -111.388486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.388486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.388486 (E_RNA) where: Base-Base interactions energy: -78.147 where: short stacking energy: -31.680 Base-Backbone interact. energy: -1.075 local terms energy: -32.165948 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -6.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -106.196390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.196390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.196390 (E_RNA) where: Base-Base interactions energy: -72.910 where: short stacking energy: -27.516 Base-Backbone interact. energy: -0.015 local terms energy: -33.271486 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -6.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -56.022350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.022350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.022350 (E_RNA) where: Base-Base interactions energy: -25.263 where: short stacking energy: -25.263 Base-Backbone interact. energy: -0.006 local terms energy: -30.754160 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -1.385 tors. eta vs tors. theta energy: -0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -55.495407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.495407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.495407 (E_RNA) where: Base-Base interactions energy: -24.586 where: short stacking energy: -17.283 Base-Backbone interact. energy: -0.021 local terms energy: -30.888608 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -11.336 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: 0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -52.426670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.426670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.426670 (E_RNA) where: Base-Base interactions energy: -22.295 where: short stacking energy: -22.295 Base-Backbone interact. energy: -0.114 local terms energy: -30.017787 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: -1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -51.760126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.760126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.760126 (E_RNA) where: Base-Base interactions energy: -17.272 where: short stacking energy: -16.841 Base-Backbone interact. energy: -0.004 local terms energy: -34.484111 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -6.828 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -5.521 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: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -44.871353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.871353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.871353 (E_RNA) where: Base-Base interactions energy: -15.278 where: short stacking energy: -15.278 Base-Backbone interact. energy: -0.025 local terms energy: -29.567684 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -6.530 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -117.693644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.693644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.693644 (E_RNA) where: Base-Base interactions energy: -76.560 where: short stacking energy: -35.793 Base-Backbone interact. energy: -0.005 local terms energy: -41.128462 where: bonds (distance) C4'-P energy: -8.368 bonds (distance) P-C4' energy: -10.461 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -7.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -114.174294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.174294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.174294 (E_RNA) where: Base-Base interactions energy: -73.730 where: short stacking energy: -28.231 Base-Backbone interact. energy: -0.007 local terms energy: -40.437238 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -6.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -110.368845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.368845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.368845 (E_RNA) where: Base-Base interactions energy: -77.425 where: short stacking energy: -30.126 Base-Backbone interact. energy: -0.550 local terms energy: -32.393522 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: 0.539 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -109.407429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.407429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.407429 (E_RNA) where: Base-Base interactions energy: -74.782 where: short stacking energy: -26.852 Base-Backbone interact. energy: -0.010 local terms energy: -34.615503 where: bonds (distance) C4'-P energy: -7.036 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -9.372 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -115.884243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.884243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.884243 (E_RNA) where: Base-Base interactions energy: -80.639 where: short stacking energy: -30.991 Base-Backbone interact. energy: -0.141 local terms energy: -35.104249 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -9.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -70.482868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.482868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.482868 (E_RNA) where: Base-Base interactions energy: -30.064 where: short stacking energy: -30.064 Base-Backbone interact. energy: -0.000 local terms energy: -40.419087 where: bonds (distance) C4'-P energy: -8.119 bonds (distance) P-C4' energy: -8.362 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: -10.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -62.129163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.129163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.129163 (E_RNA) where: Base-Base interactions energy: -25.083 where: short stacking energy: -25.083 Base-Backbone interact. energy: -0.293 local terms energy: -36.753450 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -9.947 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -4.989 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -46.463143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.463143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.463143 (E_RNA) where: Base-Base interactions energy: -18.121 where: short stacking energy: -17.476 Base-Backbone interact. energy: -0.065 local terms energy: -28.276650 where: bonds (distance) C4'-P energy: -8.654 bonds (distance) P-C4' energy: -9.696 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: 0.462 tors. eta vs tors. theta energy: -1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -45.403220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.403220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.403220 (E_RNA) where: Base-Base interactions energy: -15.314 where: short stacking energy: -12.938 Base-Backbone interact. energy: -0.129 local terms energy: -29.959534 where: bonds (distance) C4'-P energy: -9.125 bonds (distance) P-C4' energy: -8.719 flat angles C4'-P-C4' energy: -10.141 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: 3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -50.977670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.977670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.977670 (E_RNA) where: Base-Base interactions energy: -28.191 where: short stacking energy: -13.600 Base-Backbone interact. energy: 0.655 local terms energy: -23.441827 where: bonds (distance) C4'-P energy: -7.855 bonds (distance) P-C4' energy: -7.220 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -1.375 tors. eta vs tors. theta energy: 0.103 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: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -119.612851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.612851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.612851 (E_RNA) where: Base-Base interactions energy: -81.055 where: short stacking energy: -29.314 Base-Backbone interact. energy: -0.376 local terms energy: -38.181094 where: bonds (distance) C4'-P energy: -9.379 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -3.507 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -9.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -110.682984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.682984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.682984 (E_RNA) where: Base-Base interactions energy: -72.941 where: short stacking energy: -29.549 Base-Backbone interact. energy: -0.008 local terms energy: -37.733832 where: bonds (distance) C4'-P energy: -5.991 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -7.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -116.184035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.184035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.184035 (E_RNA) where: Base-Base interactions energy: -76.075 where: short stacking energy: -28.131 Base-Backbone interact. energy: -0.002 local terms energy: -40.106681 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -9.674 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -8.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -109.358856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.358856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.358856 (E_RNA) where: Base-Base interactions energy: -72.447 where: short stacking energy: -27.697 Base-Backbone interact. energy: -0.445 local terms energy: -36.466204 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -10.018 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -107.191763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.191763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.191763 (E_RNA) where: Base-Base interactions energy: -69.653 where: short stacking energy: -35.401 Base-Backbone interact. energy: -0.006 local terms energy: -37.532658 where: bonds (distance) C4'-P energy: -7.118 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -10.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -56.005394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.005394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.005394 (E_RNA) where: Base-Base interactions energy: -21.264 where: short stacking energy: -21.264 Base-Backbone interact. energy: -0.044 local terms energy: -34.697485 where: bonds (distance) C4'-P energy: -8.944 bonds (distance) P-C4' energy: -10.697 flat angles C4'-P-C4' energy: -9.919 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -0.779 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: 3 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -56.626028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.626028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.626028 (E_RNA) where: Base-Base interactions energy: -19.312 where: short stacking energy: -15.907 Base-Backbone interact. energy: -0.027 local terms energy: -37.286646 where: bonds (distance) C4'-P energy: -8.662 bonds (distance) P-C4' energy: -9.442 flat angles C4'-P-C4' energy: -10.037 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -48.556577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.556577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.556577 (E_RNA) where: Base-Base interactions energy: -17.755 where: short stacking energy: -16.694 Base-Backbone interact. energy: -0.083 local terms energy: -30.718015 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -9.779 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -42.642004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.642004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.642004 (E_RNA) where: Base-Base interactions energy: -17.371 where: short stacking energy: -16.283 Base-Backbone interact. energy: -0.026 local terms energy: -25.245472 where: bonds (distance) C4'-P energy: -7.871 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: 0.252 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: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -40.978265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.978265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.978265 (E_RNA) where: Base-Base interactions energy: -13.429 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.246 local terms energy: -27.303775 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -0.884 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: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -121.919303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.919303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.919303 (E_RNA) where: Base-Base interactions energy: -78.895 where: short stacking energy: -33.157 Base-Backbone interact. energy: -0.013 local terms energy: -43.011642 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -10.057 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -10.507 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: 2, replica: 10 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -115.751006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.751006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.751006 (E_RNA) where: Base-Base interactions energy: -80.032 where: short stacking energy: -36.653 Base-Backbone interact. energy: -0.002 local terms energy: -35.717912 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -2.986 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: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -117.842798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.842798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.842798 (E_RNA) where: Base-Base interactions energy: -79.924 where: short stacking energy: -33.672 Base-Backbone interact. energy: -0.075 local terms energy: -37.843856 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -8.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -110.783487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.783487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.783487 (E_RNA) where: Base-Base interactions energy: -72.254 where: short stacking energy: -29.652 Base-Backbone interact. energy: -0.577 local terms energy: -37.952484 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -8.722 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: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -104.659785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.659785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.659785 (E_RNA) where: Base-Base interactions energy: -69.083 where: short stacking energy: -23.065 Base-Backbone interact. energy: -0.066 local terms energy: -35.510806 where: bonds (distance) C4'-P energy: -8.210 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -5.542 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: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -53.933327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.933327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.933327 (E_RNA) where: Base-Base interactions energy: -19.128 where: short stacking energy: -18.602 Base-Backbone interact. energy: -0.052 local terms energy: -34.753281 where: bonds (distance) C4'-P energy: -7.590 bonds (distance) P-C4' energy: -11.342 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -8.189 tors. eta vs tors. theta energy: -1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -51.061379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.061379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.061379 (E_RNA) where: Base-Base interactions energy: -19.567 where: short stacking energy: -19.567 Base-Backbone interact. energy: -0.175 local terms energy: -31.319281 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -48.869903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.869903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.869903 (E_RNA) where: Base-Base interactions energy: -19.242 where: short stacking energy: -17.695 Base-Backbone interact. energy: -0.086 local terms energy: -29.541826 where: bonds (distance) C4'-P energy: -9.486 bonds (distance) P-C4' energy: -5.007 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -54.556699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.556699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.556699 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.329 Base-Backbone interact. energy: -0.000 local terms energy: -36.064392 where: bonds (distance) C4'-P energy: -9.345 bonds (distance) P-C4' energy: -10.398 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -6.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -56.493977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.493977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.493977 (E_RNA) where: Base-Base interactions energy: -26.424 where: short stacking energy: -23.556 Base-Backbone interact. energy: -0.002 local terms energy: -30.067775 where: bonds (distance) C4'-P energy: -5.802 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -9.611 flat angles P-C4'-P energy: -1.435 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -112.844420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.844420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.844420 (E_RNA) where: Base-Base interactions energy: -74.136 where: short stacking energy: -26.950 Base-Backbone interact. energy: -0.008 local terms energy: -38.700614 where: bonds (distance) C4'-P energy: -8.030 bonds (distance) P-C4' energy: -9.969 flat angles C4'-P-C4' energy: -10.228 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -120.230646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.230646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.230646 (E_RNA) where: Base-Base interactions energy: -81.398 where: short stacking energy: -35.027 Base-Backbone interact. energy: -0.031 local terms energy: -38.802430 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -2.048 tors. eta vs tors. theta energy: -10.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -111.823407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.823407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.823407 (E_RNA) where: Base-Base interactions energy: -76.601 where: short stacking energy: -27.751 Base-Backbone interact. energy: -0.000 local terms energy: -35.222493 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -110.967337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.967337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.967337 (E_RNA) where: Base-Base interactions energy: -78.162 where: short stacking energy: -33.284 Base-Backbone interact. energy: -0.008 local terms energy: -32.797359 where: bonds (distance) C4'-P energy: -7.159 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -9.245 flat angles P-C4'-P energy: -1.003 tors. eta vs tors. theta energy: -5.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -59.426918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.426918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.426918 (E_RNA) where: Base-Base interactions energy: -22.391 where: short stacking energy: -22.391 Base-Backbone interact. energy: -0.012 local terms energy: -37.024453 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -8.755 flat angles C4'-P-C4' energy: -10.190 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -100.410716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.410716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.410716 (E_RNA) where: Base-Base interactions energy: -68.597 where: short stacking energy: -26.024 Base-Backbone interact. energy: -0.168 local terms energy: -31.645949 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -9.051 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -4.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -71.127115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.127115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.127115 (E_RNA) where: Base-Base interactions energy: -36.948 where: short stacking energy: -20.780 Base-Backbone interact. energy: -0.007 local terms energy: -34.172309 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -56.970784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.970784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.970784 (E_RNA) where: Base-Base interactions energy: -24.566 where: short stacking energy: -14.155 Base-Backbone interact. energy: -1.367 local terms energy: -31.038070 where: bonds (distance) C4'-P energy: -9.601 bonds (distance) P-C4' energy: -8.162 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -51.699804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.699804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.699804 (E_RNA) where: Base-Base interactions energy: -22.173 where: short stacking energy: -17.536 Base-Backbone interact. energy: -0.165 local terms energy: -29.361242 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -51.662554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.662554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.662554 (E_RNA) where: Base-Base interactions energy: -18.206 where: short stacking energy: -16.703 Base-Backbone interact. energy: -0.079 local terms energy: -33.377686 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -115.150917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.150917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.150917 (E_RNA) where: Base-Base interactions energy: -75.338 where: short stacking energy: -26.503 Base-Backbone interact. energy: -0.001 local terms energy: -39.811281 where: bonds (distance) C4'-P energy: -7.135 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -10.139 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -7.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -114.414762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.414762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.414762 (E_RNA) where: Base-Base interactions energy: -74.978 where: short stacking energy: -30.784 Base-Backbone interact. energy: 0.123 local terms energy: -39.558902 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -9.475 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -7.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -108.434192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.434192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.434192 (E_RNA) where: Base-Base interactions energy: -69.785 where: short stacking energy: -30.865 Base-Backbone interact. energy: -0.557 local terms energy: -38.092443 where: bonds (distance) C4'-P energy: -8.083 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -9.035 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -106.446697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.446697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.446697 (E_RNA) where: Base-Base interactions energy: -65.015 where: short stacking energy: -27.675 Base-Backbone interact. energy: -0.028 local terms energy: -41.403746 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -5.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -55.980565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.980565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.980565 (E_RNA) where: Base-Base interactions energy: -17.388 where: short stacking energy: -17.388 Base-Backbone interact. energy: -0.005 local terms energy: -38.587384 where: bonds (distance) C4'-P energy: -7.698 bonds (distance) P-C4' energy: -9.947 flat angles C4'-P-C4' energy: -9.631 flat angles P-C4'-P energy: -5.772 tors. eta vs tors. theta energy: -5.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -61.749999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.749999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.749999 (E_RNA) where: Base-Base interactions energy: -26.026 where: short stacking energy: -19.968 Base-Backbone interact. energy: -0.121 local terms energy: -35.602678 where: bonds (distance) C4'-P energy: -8.501 bonds (distance) P-C4' energy: -10.687 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -104.862667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.862667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.862667 (E_RNA) where: Base-Base interactions energy: -74.360 where: short stacking energy: -25.836 Base-Backbone interact. energy: -0.002 local terms energy: -30.500491 where: bonds (distance) C4'-P energy: -8.326 bonds (distance) P-C4' energy: -9.208 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -0.692 tors. eta vs tors. theta energy: -4.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -51.196841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.196841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.196841 (E_RNA) where: Base-Base interactions energy: -16.017 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.004 local terms energy: -35.175459 where: bonds (distance) C4'-P energy: -7.512 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -5.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -48.052714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.052714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.052714 (E_RNA) where: Base-Base interactions energy: -19.152 where: short stacking energy: -15.848 Base-Backbone interact. energy: -0.313 local terms energy: -28.587231 where: bonds (distance) C4'-P energy: -7.598 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -2.341 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -4.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -52.230954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.230954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.230954 (E_RNA) where: Base-Base interactions energy: -18.960 where: short stacking energy: -13.809 Base-Backbone interact. energy: -0.060 local terms energy: -33.211698 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -9.171 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -118.182726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.182726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.182726 (E_RNA) where: Base-Base interactions energy: -74.099 where: short stacking energy: -32.119 Base-Backbone interact. energy: -0.005 local terms energy: -44.078420 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -7.079 tors. eta vs tors. theta energy: -8.946 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: 10 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -120.257032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.257032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.257032 (E_RNA) where: Base-Base interactions energy: -77.939 where: short stacking energy: -35.507 Base-Backbone interact. energy: -0.646 local terms energy: -41.672342 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -8.484 flat angles C4'-P-C4' energy: -9.191 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -8.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -114.014809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.014809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.014809 (E_RNA) where: Base-Base interactions energy: -70.697 where: short stacking energy: -32.476 Base-Backbone interact. energy: -0.700 local terms energy: -42.617750 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -9.429 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -10.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -113.210498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.210498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.210498 (E_RNA) where: Base-Base interactions energy: -75.592 where: short stacking energy: -33.307 Base-Backbone interact. energy: -0.001 local terms energy: -37.617083 where: bonds (distance) C4'-P energy: -6.865 bonds (distance) P-C4' energy: -9.662 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -7.859 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: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -67.952505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.952505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.952505 (E_RNA) where: Base-Base interactions energy: -30.729 where: short stacking energy: -30.729 Base-Backbone interact. energy: -0.036 local terms energy: -37.187811 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -8.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -62.578172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.578172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.578172 (E_RNA) where: Base-Base interactions energy: -26.078 where: short stacking energy: -21.511 Base-Backbone interact. energy: -0.256 local terms energy: -36.244187 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -1.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -61.608953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.608953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.608953 (E_RNA) where: Base-Base interactions energy: -23.563 where: short stacking energy: -22.435 Base-Backbone interact. energy: -0.000 local terms energy: -38.045165 where: bonds (distance) C4'-P energy: -8.529 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -9.924 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -98.623486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.623486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.623486 (E_RNA) where: Base-Base interactions energy: -63.384 where: short stacking energy: -25.835 Base-Backbone interact. energy: -0.470 local terms energy: -34.769472 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -6.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -54.277856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.277856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.277856 (E_RNA) where: Base-Base interactions energy: -19.283 where: short stacking energy: -10.662 Base-Backbone interact. energy: -0.234 local terms energy: -34.761075 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -44.794107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.794107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.794107 (E_RNA) where: Base-Base interactions energy: -12.986 where: short stacking energy: -8.083 Base-Backbone interact. energy: 0.032 local terms energy: -31.840701 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -9.746 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: 1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -118.649414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.649414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.649414 (E_RNA) where: Base-Base interactions energy: -80.569 where: short stacking energy: -25.780 Base-Backbone interact. energy: 0.340 local terms energy: -38.420143 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -7.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -115.168993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.168993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.168993 (E_RNA) where: Base-Base interactions energy: -74.705 where: short stacking energy: -35.174 Base-Backbone interact. energy: -0.120 local terms energy: -40.343317 where: bonds (distance) C4'-P energy: -9.216 bonds (distance) P-C4' energy: -8.978 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -9.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -110.383131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.383131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.383131 (E_RNA) where: Base-Base interactions energy: -78.324 where: short stacking energy: -32.044 Base-Backbone interact. energy: -0.273 local terms energy: -31.786280 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -6.117 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -9.166 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: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -106.926655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.926655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.926655 (E_RNA) where: Base-Base interactions energy: -67.765 where: short stacking energy: -30.609 Base-Backbone interact. energy: -1.677 local terms energy: -37.485015 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -7.980 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -7.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -60.448313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.448313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.448313 (E_RNA) where: Base-Base interactions energy: -17.939 where: short stacking energy: -17.919 Base-Backbone interact. energy: -0.492 local terms energy: -42.016801 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -9.895 flat angles C4'-P-C4' energy: -9.304 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -6.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -70.348682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.348682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.348682 (E_RNA) where: Base-Base interactions energy: -32.499 where: short stacking energy: -25.243 Base-Backbone interact. energy: -0.063 local terms energy: -37.786775 where: bonds (distance) C4'-P energy: -7.681 bonds (distance) P-C4' energy: -11.092 flat angles C4'-P-C4' energy: -9.211 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -55.851787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.851787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.851787 (E_RNA) where: Base-Base interactions energy: -26.546 where: short stacking energy: -23.257 Base-Backbone interact. energy: -0.067 local terms energy: -29.238802 where: bonds (distance) C4'-P energy: -8.976 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -1.782 tors. eta vs tors. theta energy: -1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -52.346685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.346685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.346685 (E_RNA) where: Base-Base interactions energy: -22.510 where: short stacking energy: -22.510 Base-Backbone interact. energy: 0.724 local terms energy: -30.561077 where: bonds (distance) C4'-P energy: -9.308 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -3.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -85.480773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.480773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.480773 (E_RNA) where: Base-Base interactions energy: -58.121 where: short stacking energy: -23.352 Base-Backbone interact. energy: 1.477 local terms energy: -28.835943 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -6.793 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -46.123163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.123163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.123163 (E_RNA) where: Base-Base interactions energy: -13.861 where: short stacking energy: -10.084 Base-Backbone interact. energy: -0.071 local terms energy: -32.191489 where: bonds (distance) C4'-P energy: -6.066 bonds (distance) P-C4' energy: -9.457 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -112.075327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.075327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.075327 (E_RNA) where: Base-Base interactions energy: -71.666 where: short stacking energy: -32.396 Base-Backbone interact. energy: -0.008 local terms energy: -40.401300 where: bonds (distance) C4'-P energy: -8.807 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -119.514461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.514461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.514461 (E_RNA) where: Base-Base interactions energy: -79.808 where: short stacking energy: -29.031 Base-Backbone interact. energy: -0.433 local terms energy: -39.274006 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -8.899 flat angles P-C4'-P energy: -1.125 tors. eta vs tors. theta energy: -9.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -113.508792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.508792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.508792 (E_RNA) where: Base-Base interactions energy: -73.065 where: short stacking energy: -28.487 Base-Backbone interact. energy: -0.448 local terms energy: -39.995310 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -9.760 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -7.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -108.582540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.582540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.582540 (E_RNA) where: Base-Base interactions energy: -70.127 where: short stacking energy: -30.675 Base-Backbone interact. energy: -0.030 local terms energy: -38.425621 where: bonds (distance) C4'-P energy: -8.347 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -8.028 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -74.893373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.893373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.893373 (E_RNA) where: Base-Base interactions energy: -39.530 where: short stacking energy: -11.952 Base-Backbone interact. energy: -0.021 local terms energy: -35.342084 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -4.058 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: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -59.760631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.760631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.760631 (E_RNA) where: Base-Base interactions energy: -28.273 where: short stacking energy: -18.575 Base-Backbone interact. energy: -0.457 local terms energy: -31.030104 where: bonds (distance) C4'-P energy: -6.770 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -49.023672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.023672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.023672 (E_RNA) where: Base-Base interactions energy: -20.094 where: short stacking energy: -20.094 Base-Backbone interact. energy: -0.022 local terms energy: -28.907681 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -8.950 flat angles C4'-P-C4' energy: -3.150 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -53.906636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.906636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.906636 (E_RNA) where: Base-Base interactions energy: -17.618 where: short stacking energy: -17.618 Base-Backbone interact. energy: -0.782 local terms energy: -35.506067 where: bonds (distance) C4'-P energy: -9.079 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -8.659 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -52.747985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.747985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.747985 (E_RNA) where: Base-Base interactions energy: -13.836 where: short stacking energy: -12.494 Base-Backbone interact. energy: -0.001 local terms energy: -38.911226 where: bonds (distance) C4'-P energy: -7.922 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -8.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -52.253660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.253660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.253660 (E_RNA) where: Base-Base interactions energy: -29.337 where: short stacking energy: -26.044 Base-Backbone interact. energy: 0.293 local terms energy: -23.209090 where: bonds (distance) C4'-P energy: -6.770 bonds (distance) P-C4' energy: -3.945 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -120.675787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.675787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.675787 (E_RNA) where: Base-Base interactions energy: -79.173 where: short stacking energy: -31.473 Base-Backbone interact. energy: -0.045 local terms energy: -41.458058 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -8.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -118.775967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.775967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.775967 (E_RNA) where: Base-Base interactions energy: -81.440 where: short stacking energy: -24.720 Base-Backbone interact. energy: -0.335 local terms energy: -37.001618 where: bonds (distance) C4'-P energy: -5.561 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -10.595 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -115.699638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.699638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.699638 (E_RNA) where: Base-Base interactions energy: -78.811 where: short stacking energy: -35.917 Base-Backbone interact. energy: -0.003 local terms energy: -36.885296 where: bonds (distance) C4'-P energy: -6.033 bonds (distance) P-C4' energy: -10.578 flat angles C4'-P-C4' energy: -9.398 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -7.010 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: 10 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -110.008656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.008656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.008656 (E_RNA) where: Base-Base interactions energy: -68.203 where: short stacking energy: -35.212 Base-Backbone interact. energy: -0.041 local terms energy: -41.765043 where: bonds (distance) C4'-P energy: -8.960 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -10.750 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -9.720 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: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -69.677264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.677264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.677264 (E_RNA) where: Base-Base interactions energy: -38.018 where: short stacking energy: -15.108 Base-Backbone interact. energy: -0.063 local terms energy: -31.596184 where: bonds (distance) C4'-P energy: -8.326 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -0.806 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: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -60.154791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.154791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.154791 (E_RNA) where: Base-Base interactions energy: -25.301 where: short stacking energy: -25.501 Base-Backbone interact. energy: -0.075 local terms energy: -34.778374 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.700 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -62.553210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.553210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.553210 (E_RNA) where: Base-Base interactions energy: -28.103 where: short stacking energy: -27.557 Base-Backbone interact. energy: -0.024 local terms energy: -34.427071 where: bonds (distance) C4'-P energy: -8.335 bonds (distance) P-C4' energy: -8.430 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -52.882400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.882400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.882400 (E_RNA) where: Base-Base interactions energy: -15.800 where: short stacking energy: -14.266 Base-Backbone interact. energy: -0.090 local terms energy: -36.992191 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -9.371 flat angles P-C4'-P energy: -8.153 tors. eta vs tors. theta energy: -1.240 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: 9, replica: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -81.469389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.469389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.469389 (E_RNA) where: Base-Base interactions energy: -43.816 where: short stacking energy: -23.842 Base-Backbone interact. energy: -0.101 local terms energy: -37.551583 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -8.069 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -7.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -50.964100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.964100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.964100 (E_RNA) where: Base-Base interactions energy: -17.273 where: short stacking energy: -17.217 Base-Backbone interact. energy: -0.024 local terms energy: -33.666394 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -10.557 flat angles C4'-P-C4' energy: -10.279 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -126.948979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.948979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.948979 (E_RNA) where: Base-Base interactions energy: -87.356 where: short stacking energy: -34.124 Base-Backbone interact. energy: -0.680 local terms energy: -38.912554 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -104.278088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.278088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.278088 (E_RNA) where: Base-Base interactions energy: -69.589 where: short stacking energy: -30.609 Base-Backbone interact. energy: -0.094 local terms energy: -34.595065 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -9.767 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -119.008501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.008501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.008501 (E_RNA) where: Base-Base interactions energy: -76.205 where: short stacking energy: -34.401 Base-Backbone interact. energy: -2.002 local terms energy: -40.801780 where: bonds (distance) C4'-P energy: -8.963 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -8.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -117.067694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.067694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.067694 (E_RNA) where: Base-Base interactions energy: -74.326 where: short stacking energy: -36.713 Base-Backbone interact. energy: -0.001 local terms energy: -42.740191 where: bonds (distance) C4'-P energy: -7.375 bonds (distance) P-C4' energy: -8.555 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -9.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -61.137187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.137187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.137187 (E_RNA) where: Base-Base interactions energy: -27.598 where: short stacking energy: -21.691 Base-Backbone interact. energy: -0.002 local terms energy: -33.537580 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -8.399 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -5.942 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: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -61.013200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.013200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.013200 (E_RNA) where: Base-Base interactions energy: -26.154 where: short stacking energy: -26.154 Base-Backbone interact. energy: -0.000 local terms energy: -34.859015 where: bonds (distance) C4'-P energy: -8.278 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -9.868 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -4.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -55.816095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.816095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.816095 (E_RNA) where: Base-Base interactions energy: -29.552 where: short stacking energy: -17.261 Base-Backbone interact. energy: -0.033 local terms energy: -26.231270 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -9.020 flat angles C4'-P-C4' energy: -1.448 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -49.196572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.196572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.196572 (E_RNA) where: Base-Base interactions energy: -16.921 where: short stacking energy: -16.921 Base-Backbone interact. energy: -0.952 local terms energy: -31.323418 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -1.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -48.211158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.211158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.211158 (E_RNA) where: Base-Base interactions energy: -14.058 where: short stacking energy: -6.870 Base-Backbone interact. energy: -0.222 local terms energy: -33.931134 where: bonds (distance) C4'-P energy: -8.857 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -56.232505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.232505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.232505 (E_RNA) where: Base-Base interactions energy: -33.367 where: short stacking energy: -14.951 Base-Backbone interact. energy: -0.087 local terms energy: -22.778615 where: bonds (distance) C4'-P energy: -4.522 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -2.125 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: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -121.412102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.412102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.412102 (E_RNA) where: Base-Base interactions energy: -79.378 where: short stacking energy: -34.512 Base-Backbone interact. energy: -0.077 local terms energy: -41.957557 where: bonds (distance) C4'-P energy: -9.611 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -9.578 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: 5 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -123.987648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.987648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.987648 (E_RNA) where: Base-Base interactions energy: -83.507 where: short stacking energy: -31.719 Base-Backbone interact. energy: -0.005 local terms energy: -40.476405 where: bonds (distance) C4'-P energy: -7.710 bonds (distance) P-C4' energy: -10.569 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -9.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -114.370491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.370491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.370491 (E_RNA) where: Base-Base interactions energy: -73.756 where: short stacking energy: -34.974 Base-Backbone interact. energy: -0.088 local terms energy: -40.526864 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -8.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -106.275637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.275637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.275637 (E_RNA) where: Base-Base interactions energy: -63.910 where: short stacking energy: -26.919 Base-Backbone interact. energy: -1.149 local terms energy: -41.215994 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -11.597 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -8.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -63.077931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.077931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.077931 (E_RNA) where: Base-Base interactions energy: -23.153 where: short stacking energy: -22.251 Base-Backbone interact. energy: -0.057 local terms energy: -39.867676 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -11.015 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -66.564775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.564775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.564775 (E_RNA) where: Base-Base interactions energy: -28.269 where: short stacking energy: -24.315 Base-Backbone interact. energy: -0.024 local terms energy: -38.271872 where: bonds (distance) C4'-P energy: -10.239 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -8.230 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: 277 Temperature: 1.200000 Total energy: -66.336657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.336657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.336657 (E_RNA) where: Base-Base interactions energy: -29.864 where: short stacking energy: -25.420 Base-Backbone interact. energy: -0.005 local terms energy: -36.467328 where: bonds (distance) C4'-P energy: -7.710 bonds (distance) P-C4' energy: -8.365 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -6.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -60.808718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.808718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.808718 (E_RNA) where: Base-Base interactions energy: -27.116 where: short stacking energy: -23.675 Base-Backbone interact. energy: -0.938 local terms energy: -32.754580 where: bonds (distance) C4'-P energy: -6.708 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -5.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -56.877789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.877789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.877789 (E_RNA) where: Base-Base interactions energy: -24.289 where: short stacking energy: -18.489 Base-Backbone interact. energy: -0.819 local terms energy: -31.769458 where: bonds (distance) C4'-P energy: -7.524 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -65.572583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.572583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.572583 (E_RNA) where: Base-Base interactions energy: -31.767 where: short stacking energy: -13.434 Base-Backbone interact. energy: 0.309 local terms energy: -34.114019 where: bonds (distance) C4'-P energy: -8.563 bonds (distance) P-C4' energy: -10.331 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -127.281782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.281782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.281782 (E_RNA) where: Base-Base interactions energy: -87.110 where: short stacking energy: -34.712 Base-Backbone interact. energy: -0.158 local terms energy: -40.013675 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -9.607 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -6.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -119.060879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.060879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.060879 (E_RNA) where: Base-Base interactions energy: -79.041 where: short stacking energy: -33.609 Base-Backbone interact. energy: -0.004 local terms energy: -40.015709 where: bonds (distance) C4'-P energy: -8.472 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -8.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -116.189665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.189665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.189665 (E_RNA) where: Base-Base interactions energy: -77.625 where: short stacking energy: -27.678 Base-Backbone interact. energy: -0.096 local terms energy: -38.468722 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -9.267 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -3.826 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: 4, replica: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -112.155113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.155113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.155113 (E_RNA) where: Base-Base interactions energy: -79.609 where: short stacking energy: -27.576 Base-Backbone interact. energy: -0.001 local terms energy: -32.545220 where: bonds (distance) C4'-P energy: -7.876 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -1.383 tors. eta vs tors. theta energy: -8.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -56.942457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.942457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.942457 (E_RNA) where: Base-Base interactions energy: -18.409 where: short stacking energy: -17.984 Base-Backbone interact. energy: 1.304 local terms energy: -39.836896 where: bonds (distance) C4'-P energy: -10.198 bonds (distance) P-C4' energy: -9.178 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -7.302 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -54.360917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.360917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.360917 (E_RNA) where: Base-Base interactions energy: -25.982 where: short stacking energy: -17.215 Base-Backbone interact. energy: -0.205 local terms energy: -28.173284 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -7.775 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -49.401190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.401190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.401190 (E_RNA) where: Base-Base interactions energy: -13.992 where: short stacking energy: -13.992 Base-Backbone interact. energy: -0.121 local terms energy: -35.287234 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -87.410626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.410626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.410626 (E_RNA) where: Base-Base interactions energy: -57.054 where: short stacking energy: -24.911 Base-Backbone interact. energy: -0.290 local terms energy: -30.066173 where: bonds (distance) C4'-P energy: -6.530 bonds (distance) P-C4' energy: -3.467 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -7.841 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -54.737529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.737529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.737529 (E_RNA) where: Base-Base interactions energy: -26.944 where: short stacking energy: -17.450 Base-Backbone interact. energy: -0.180 local terms energy: -27.613188 where: bonds (distance) C4'-P energy: -4.229 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -52.998697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.998697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.998697 (E_RNA) where: Base-Base interactions energy: -20.468 where: short stacking energy: -18.303 Base-Backbone interact. energy: -0.143 local terms energy: -32.388438 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -125.884160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.884160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.884160 (E_RNA) where: Base-Base interactions energy: -83.254 where: short stacking energy: -33.938 Base-Backbone interact. energy: -0.003 local terms energy: -42.627583 where: bonds (distance) C4'-P energy: -10.239 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -9.070 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -9.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -112.238654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.238654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.238654 (E_RNA) where: Base-Base interactions energy: -72.288 where: short stacking energy: -32.745 Base-Backbone interact. energy: -0.139 local terms energy: -39.811545 where: bonds (distance) C4'-P energy: -8.305 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -8.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -115.061334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.061334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.061334 (E_RNA) where: Base-Base interactions energy: -69.743 where: short stacking energy: -32.116 Base-Backbone interact. energy: -0.000 local terms energy: -45.318106 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: -10.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -109.089244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.089244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.089244 (E_RNA) where: Base-Base interactions energy: -70.105 where: short stacking energy: -27.371 Base-Backbone interact. energy: -0.002 local terms energy: -38.982700 where: bonds (distance) C4'-P energy: -7.834 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -9.283 flat angles P-C4'-P energy: -2.165 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: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -68.194651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.194651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.194651 (E_RNA) where: Base-Base interactions energy: -25.595 where: short stacking energy: -25.595 Base-Backbone interact. energy: -0.066 local terms energy: -42.534220 where: bonds (distance) C4'-P energy: -9.221 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -51.141729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.141729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.141729 (E_RNA) where: Base-Base interactions energy: -18.929 where: short stacking energy: -18.749 Base-Backbone interact. energy: -0.085 local terms energy: -32.126997 where: bonds (distance) C4'-P energy: -8.695 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -6.901 tors. eta vs tors. theta energy: -0.106 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: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -63.311688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.311688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.311688 (E_RNA) where: Base-Base interactions energy: -28.843 where: short stacking energy: -24.966 Base-Backbone interact. energy: -0.003 local terms energy: -34.465788 where: bonds (distance) C4'-P energy: -6.149 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -9.986 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -101.599646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.599646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.599646 (E_RNA) where: Base-Base interactions energy: -63.247 where: short stacking energy: -24.547 Base-Backbone interact. energy: -0.056 local terms energy: -38.296536 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -10.546 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -67.900902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.900902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.900902 (E_RNA) where: Base-Base interactions energy: -32.150 where: short stacking energy: -16.671 Base-Backbone interact. energy: -0.029 local terms energy: -35.721761 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -49.175546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.175546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.175546 (E_RNA) where: Base-Base interactions energy: -21.808 where: short stacking energy: -21.808 Base-Backbone interact. energy: -0.095 local terms energy: -27.271995 where: bonds (distance) C4'-P energy: -2.535 bonds (distance) P-C4' energy: -9.922 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -119.930267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.930267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.930267 (E_RNA) where: Base-Base interactions energy: -80.855 where: short stacking energy: -32.896 Base-Backbone interact. energy: -0.294 local terms energy: -38.781760 where: bonds (distance) C4'-P energy: -5.491 bonds (distance) P-C4' energy: -9.708 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -11.155 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: 2, replica: 4 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -111.145000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.145000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.145000 (E_RNA) where: Base-Base interactions energy: -76.972 where: short stacking energy: -31.603 Base-Backbone interact. energy: -0.302 local terms energy: -33.871294 where: bonds (distance) C4'-P energy: -5.562 bonds (distance) P-C4' energy: -9.746 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -6.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -110.423400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.423400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.423400 (E_RNA) where: Base-Base interactions energy: -79.403 where: short stacking energy: -30.421 Base-Backbone interact. energy: -0.001 local terms energy: -31.019570 where: bonds (distance) C4'-P energy: -7.859 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -0.795 tors. eta vs tors. theta energy: -4.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -112.703807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.703807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.703807 (E_RNA) where: Base-Base interactions energy: -70.896 where: short stacking energy: -29.945 Base-Backbone interact. energy: -0.037 local terms energy: -41.770754 where: bonds (distance) C4'-P energy: -7.565 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -9.157 flat angles P-C4'-P energy: -7.064 tors. eta vs tors. theta energy: -7.112 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: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -61.915928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.915928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.915928 (E_RNA) where: Base-Base interactions energy: -20.139 where: short stacking energy: -20.139 Base-Backbone interact. energy: -0.013 local terms energy: -41.763933 where: bonds (distance) C4'-P energy: -9.601 bonds (distance) P-C4' energy: -10.404 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -7.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -61.966477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.966477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.966477 (E_RNA) where: Base-Base interactions energy: -23.137 where: short stacking energy: -19.864 Base-Backbone interact. energy: -0.181 local terms energy: -38.648161 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -9.478 flat angles C4'-P-C4' energy: -9.396 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -66.432675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.432675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.432675 (E_RNA) where: Base-Base interactions energy: -39.375 where: short stacking energy: -14.120 Base-Backbone interact. energy: -0.092 local terms energy: -26.965283 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: 1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -53.215792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.215792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.215792 (E_RNA) where: Base-Base interactions energy: -24.393 where: short stacking energy: -24.393 Base-Backbone interact. energy: -0.138 local terms energy: -28.685733 where: bonds (distance) C4'-P energy: -4.816 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -50.949105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.949105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.949105 (E_RNA) where: Base-Base interactions energy: -19.310 where: short stacking energy: -19.310 Base-Backbone interact. energy: -0.069 local terms energy: -31.570230 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -8.950 flat angles C4'-P-C4' energy: -11.130 flat angles P-C4'-P energy: -0.467 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -49.164348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.164348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.164348 (E_RNA) where: Base-Base interactions energy: -20.200 where: short stacking energy: -16.131 Base-Backbone interact. energy: -0.010 local terms energy: -28.953493 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -11.336 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -0.609 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: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -121.895136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.895136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.895136 (E_RNA) where: Base-Base interactions energy: -80.715 where: short stacking energy: -32.555 Base-Backbone interact. energy: -0.033 local terms energy: -41.146839 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -9.552 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -8.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -115.304411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.304411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.304411 (E_RNA) where: Base-Base interactions energy: -74.218 where: short stacking energy: -30.536 Base-Backbone interact. energy: -0.137 local terms energy: -40.948833 where: bonds (distance) C4'-P energy: -9.254 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -9.262 flat angles P-C4'-P energy: -8.120 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -112.074534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.074534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.074534 (E_RNA) where: Base-Base interactions energy: -79.173 where: short stacking energy: -34.528 Base-Backbone interact. energy: -0.012 local terms energy: -32.890152 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -9.300 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -106.281019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.281019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.281019 (E_RNA) where: Base-Base interactions energy: -74.207 where: short stacking energy: -30.358 Base-Backbone interact. energy: -0.030 local terms energy: -32.043732 where: bonds (distance) C4'-P energy: -6.377 bonds (distance) P-C4' energy: -9.717 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -85.976052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976052 (E_RNA) where: Base-Base interactions energy: -45.595 where: short stacking energy: -22.425 Base-Backbone interact. energy: -0.943 local terms energy: -39.438707 where: bonds (distance) C4'-P energy: -8.244 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -106.524248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.524248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.524248 (E_RNA) where: Base-Base interactions energy: -68.984 where: short stacking energy: -30.185 Base-Backbone interact. energy: -0.093 local terms energy: -37.447680 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -7.102 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -7.723 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -59.033742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.033742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.033742 (E_RNA) where: Base-Base interactions energy: -31.392 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.958 local terms energy: -26.684094 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.492 flat angles C4'-P-C4' energy: -2.036 flat angles P-C4'-P energy: -2.133 tors. eta vs tors. theta energy: -6.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -52.513280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.513280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.513280 (E_RNA) where: Base-Base interactions energy: -23.200 where: short stacking energy: -17.329 Base-Backbone interact. energy: -0.037 local terms energy: -29.276744 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -2.292 tors. eta vs tors. theta energy: 0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -51.167310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.167310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.167310 (E_RNA) where: Base-Base interactions energy: -14.945 where: short stacking energy: -14.945 Base-Backbone interact. energy: -0.037 local terms energy: -36.184786 where: bonds (distance) C4'-P energy: -5.698 bonds (distance) P-C4' energy: -10.035 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -9.062 tors. eta vs tors. theta energy: -3.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -45.076782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.076782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.076782 (E_RNA) where: Base-Base interactions energy: -15.889 where: short stacking energy: -9.208 Base-Backbone interact. energy: -0.157 local terms energy: -29.031347 where: bonds (distance) C4'-P energy: -9.258 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: 0.601 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: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -125.667659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.667659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.667659 (E_RNA) where: Base-Base interactions energy: -84.509 where: short stacking energy: -36.820 Base-Backbone interact. energy: -0.001 local terms energy: -41.156769 where: bonds (distance) C4'-P energy: -9.851 bonds (distance) P-C4' energy: -5.789 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -11.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -114.500606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.500606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.500606 (E_RNA) where: Base-Base interactions energy: -73.257 where: short stacking energy: -29.534 Base-Backbone interact. energy: -0.449 local terms energy: -40.793942 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -9.699 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -7.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -114.042980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.042980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.042980 (E_RNA) where: Base-Base interactions energy: -84.392 where: short stacking energy: -28.257 Base-Backbone interact. energy: -0.178 local terms energy: -29.473086 where: bonds (distance) C4'-P energy: -5.048 bonds (distance) P-C4' energy: -9.714 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -0.489 tors. eta vs tors. theta energy: -8.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -107.645205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.645205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.645205 (E_RNA) where: Base-Base interactions energy: -66.539 where: short stacking energy: -31.594 Base-Backbone interact. energy: -0.019 local terms energy: -41.087420 where: bonds (distance) C4'-P energy: -8.616 bonds (distance) P-C4' energy: -10.588 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -109.370768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.370768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.370768 (E_RNA) where: Base-Base interactions energy: -68.976 where: short stacking energy: -30.253 Base-Backbone interact. energy: -0.000 local terms energy: -40.394476 where: bonds (distance) C4'-P energy: -9.523 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -10.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -97.186480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.186480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.186480 (E_RNA) where: Base-Base interactions energy: -56.605 where: short stacking energy: -26.391 Base-Backbone interact. energy: -0.412 local terms energy: -40.169571 where: bonds (distance) C4'-P energy: -8.199 bonds (distance) P-C4' energy: -7.729 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -11.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -58.384938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.384938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.384938 (E_RNA) where: Base-Base interactions energy: -22.161 where: short stacking energy: -13.539 Base-Backbone interact. energy: -0.001 local terms energy: -36.222592 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -52.612892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.612892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.612892 (E_RNA) where: Base-Base interactions energy: -20.266 where: short stacking energy: -20.266 Base-Backbone interact. energy: -0.000 local terms energy: -32.346739 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -49.485903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.485903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.485903 (E_RNA) where: Base-Base interactions energy: -20.586 where: short stacking energy: -20.586 Base-Backbone interact. energy: -0.009 local terms energy: -28.891159 where: bonds (distance) C4'-P energy: -8.640 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -49.207621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.207621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.207621 (E_RNA) where: Base-Base interactions energy: -19.139 where: short stacking energy: -19.139 Base-Backbone interact. energy: -0.094 local terms energy: -29.974121 where: bonds (distance) C4'-P energy: -5.081 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -3.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -122.472602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.472602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.472602 (E_RNA) where: Base-Base interactions energy: -80.582 where: short stacking energy: -36.759 Base-Backbone interact. energy: -0.002 local terms energy: -41.888803 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -8.486 flat angles P-C4'-P energy: -7.321 tors. eta vs tors. theta energy: -9.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -112.210440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.210440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.210440 (E_RNA) where: Base-Base interactions energy: -71.639 where: short stacking energy: -32.528 Base-Backbone interact. energy: -0.551 local terms energy: -40.021013 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -9.790 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -7.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -118.301151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.301151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.301151 (E_RNA) where: Base-Base interactions energy: -72.715 where: short stacking energy: -31.663 Base-Backbone interact. energy: -0.005 local terms energy: -45.581739 where: bonds (distance) C4'-P energy: -8.149 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -7.734 tors. eta vs tors. theta energy: -10.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -118.942070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.942070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.942070 (E_RNA) where: Base-Base interactions energy: -83.420 where: short stacking energy: -33.895 Base-Backbone interact. energy: -0.028 local terms energy: -35.494600 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -0.188 tors. eta vs tors. theta energy: -10.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -112.847678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.847678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.847678 (E_RNA) where: Base-Base interactions energy: -71.025 where: short stacking energy: -32.691 Base-Backbone interact. energy: -0.045 local terms energy: -41.777623 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -63.667064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.667064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.667064 (E_RNA) where: Base-Base interactions energy: -31.621 where: short stacking energy: -17.340 Base-Backbone interact. energy: -0.018 local terms energy: -32.028060 where: bonds (distance) C4'-P energy: -9.204 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -89.891567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.891567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.891567 (E_RNA) where: Base-Base interactions energy: -57.860 where: short stacking energy: -25.612 Base-Backbone interact. energy: -0.013 local terms energy: -32.018890 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -3.929 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -6.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -53.903777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.903777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.903777 (E_RNA) where: Base-Base interactions energy: -21.355 where: short stacking energy: -21.355 Base-Backbone interact. energy: -0.001 local terms energy: -32.548122 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.863 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -53.634424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.634424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.634424 (E_RNA) where: Base-Base interactions energy: -20.312 where: short stacking energy: -17.888 Base-Backbone interact. energy: -0.035 local terms energy: -33.287138 where: bonds (distance) C4'-P energy: -9.229 bonds (distance) P-C4' energy: -9.208 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -53.071170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.071170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.071170 (E_RNA) where: Base-Base interactions energy: -16.059 where: short stacking energy: -16.059 Base-Backbone interact. energy: -0.003 local terms energy: -37.009254 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -10.035 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -6.595 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -115.253598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.253598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.253598 (E_RNA) where: Base-Base interactions energy: -79.293 where: short stacking energy: -35.941 Base-Backbone interact. energy: -0.007 local terms energy: -35.953779 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -11.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -115.746040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.746040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.746040 (E_RNA) where: Base-Base interactions energy: -75.873 where: short stacking energy: -33.122 Base-Backbone interact. energy: -0.842 local terms energy: -39.031469 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -8.286 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -9.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -109.139138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.139138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.139138 (E_RNA) where: Base-Base interactions energy: -71.451 where: short stacking energy: -33.129 Base-Backbone interact. energy: -0.284 local terms energy: -37.403377 where: bonds (distance) C4'-P energy: -8.567 bonds (distance) P-C4' energy: -9.827 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -8.506 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: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -108.929885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.929885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.929885 (E_RNA) where: Base-Base interactions energy: -68.917 where: short stacking energy: -30.765 Base-Backbone interact. energy: -0.389 local terms energy: -39.623483 where: bonds (distance) C4'-P energy: -8.294 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -9.738 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -111.909644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.909644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.909644 (E_RNA) where: Base-Base interactions energy: -72.059 where: short stacking energy: -30.764 Base-Backbone interact. energy: -0.046 local terms energy: -39.804507 where: bonds (distance) C4'-P energy: -8.541 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -9.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -66.671267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.671267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.671267 (E_RNA) where: Base-Base interactions energy: -34.510 where: short stacking energy: -21.673 Base-Backbone interact. energy: -0.231 local terms energy: -31.930725 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -6.645 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -59.758049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.758049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.758049 (E_RNA) where: Base-Base interactions energy: -25.531 where: short stacking energy: -25.531 Base-Backbone interact. energy: -0.035 local terms energy: -34.192367 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -6.018 flat angles C4'-P-C4' energy: -9.528 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -55.583083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.583083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.583083 (E_RNA) where: Base-Base interactions energy: -19.344 where: short stacking energy: -18.659 Base-Backbone interact. energy: -0.006 local terms energy: -36.232771 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -9.757 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -4.645 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: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -48.036835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.036835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.036835 (E_RNA) where: Base-Base interactions energy: -20.859 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.043 local terms energy: -27.135441 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -0.332 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: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -59.720037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.720037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.720037 (E_RNA) where: Base-Base interactions energy: -22.644 where: short stacking energy: -22.644 Base-Backbone interact. energy: -0.004 local terms energy: -37.072091 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -121.942448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.942448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.942448 (E_RNA) where: Base-Base interactions energy: -79.530 where: short stacking energy: -33.117 Base-Backbone interact. energy: -0.001 local terms energy: -42.411647 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -12.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -118.072779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.072779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.072779 (E_RNA) where: Base-Base interactions energy: -76.481 where: short stacking energy: -30.564 Base-Backbone interact. energy: -0.580 local terms energy: -41.011914 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -8.674 flat angles C4'-P-C4' energy: -9.521 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -9.148 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: 3, replica: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -125.643315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.643315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.643315 (E_RNA) where: Base-Base interactions energy: -82.361 where: short stacking energy: -32.267 Base-Backbone interact. energy: -0.014 local terms energy: -43.268668 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -10.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -106.925255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.925255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.925255 (E_RNA) where: Base-Base interactions energy: -67.077 where: short stacking energy: -30.230 Base-Backbone interact. energy: -0.009 local terms energy: -39.839386 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -9.625 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -6.836 tors. eta vs tors. theta energy: -5.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -106.119661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.119661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.119661 (E_RNA) where: Base-Base interactions energy: -67.761 where: short stacking energy: -27.897 Base-Backbone interact. energy: -0.561 local terms energy: -37.797975 where: bonds (distance) C4'-P energy: -7.681 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -6.826 tors. eta vs tors. theta energy: -6.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -56.921319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.921319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.921319 (E_RNA) where: Base-Base interactions energy: -27.719 where: short stacking energy: -27.719 Base-Backbone interact. energy: -0.636 local terms energy: -28.566280 where: bonds (distance) C4'-P energy: -7.929 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -0.550 tors. eta vs tors. theta energy: -5.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -66.627776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.627776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.627776 (E_RNA) where: Base-Base interactions energy: -28.557 where: short stacking energy: -20.601 Base-Backbone interact. energy: -0.055 local terms energy: -38.015945 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -8.783 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -59.011360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.011360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.011360 (E_RNA) where: Base-Base interactions energy: -22.339 where: short stacking energy: -17.663 Base-Backbone interact. energy: -0.011 local terms energy: -36.661504 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -9.386 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -6.264 tors. eta vs tors. theta energy: -3.112 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: 2 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -56.720086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.720086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.720086 (E_RNA) where: Base-Base interactions energy: -22.731 where: short stacking energy: -22.731 Base-Backbone interact. energy: -0.010 local terms energy: -33.978561 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -9.183 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -48.302606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.302606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.302606 (E_RNA) where: Base-Base interactions energy: -20.652 where: short stacking energy: -15.560 Base-Backbone interact. energy: -0.033 local terms energy: -27.618263 where: bonds (distance) C4'-P energy: -5.881 bonds (distance) P-C4' energy: -7.916 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: 0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -119.018648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.018648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.018648 (E_RNA) where: Base-Base interactions energy: -80.219 where: short stacking energy: -39.282 Base-Backbone interact. energy: 0.066 local terms energy: -38.865978 where: bonds (distance) C4'-P energy: -6.269 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.718 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -7.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -120.774711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.774711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.774711 (E_RNA) where: Base-Base interactions energy: -84.086 where: short stacking energy: -36.529 Base-Backbone interact. energy: -0.010 local terms energy: -36.678681 where: bonds (distance) C4'-P energy: -7.147 bonds (distance) P-C4' energy: -9.107 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -9.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -113.989768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.989768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.989768 (E_RNA) where: Base-Base interactions energy: -73.601 where: short stacking energy: -30.931 Base-Backbone interact. energy: -0.004 local terms energy: -40.385100 where: bonds (distance) C4'-P energy: -8.505 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -9.026 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -6.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -116.608904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.608904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.608904 (E_RNA) where: Base-Base interactions energy: -72.251 where: short stacking energy: -31.657 Base-Backbone interact. energy: -0.013 local terms energy: -44.345018 where: bonds (distance) C4'-P energy: -8.819 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -8.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -109.847448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.847448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.847448 (E_RNA) where: Base-Base interactions energy: -72.636 where: short stacking energy: -36.501 Base-Backbone interact. energy: -0.000 local terms energy: -37.210927 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -11.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -62.399785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.399785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.399785 (E_RNA) where: Base-Base interactions energy: -26.853 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.007 local terms energy: -35.539856 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -10.920 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -56.322386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.322386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.322386 (E_RNA) where: Base-Base interactions energy: -16.817 where: short stacking energy: -15.136 Base-Backbone interact. energy: 0.194 local terms energy: -39.699696 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -10.687 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -60.107056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.107056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.107056 (E_RNA) where: Base-Base interactions energy: -29.872 where: short stacking energy: -13.015 Base-Backbone interact. energy: -0.091 local terms energy: -30.143880 where: bonds (distance) C4'-P energy: -7.445 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: 1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -50.383462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.383462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.383462 (E_RNA) where: Base-Base interactions energy: -15.321 where: short stacking energy: -15.321 Base-Backbone interact. energy: -0.010 local terms energy: -35.052568 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -9.274 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -4.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -54.813277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.813277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.813277 (E_RNA) where: Base-Base interactions energy: -26.491 where: short stacking energy: -17.355 Base-Backbone interact. energy: -0.178 local terms energy: -28.144749 where: bonds (distance) C4'-P energy: -6.431 bonds (distance) P-C4' energy: -7.193 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -123.033753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.033753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.033753 (E_RNA) where: Base-Base interactions energy: -82.316 where: short stacking energy: -37.195 Base-Backbone interact. energy: -0.001 local terms energy: -40.717255 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -9.245 flat angles C4'-P-C4' energy: -9.904 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -11.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -114.804463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.804463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.804463 (E_RNA) where: Base-Base interactions energy: -75.113 where: short stacking energy: -34.618 Base-Backbone interact. energy: -0.001 local terms energy: -39.690658 where: bonds (distance) C4'-P energy: -8.496 bonds (distance) P-C4' energy: -6.999 flat angles C4'-P-C4' energy: -9.614 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -109.252647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.252647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.252647 (E_RNA) where: Base-Base interactions energy: -72.252 where: short stacking energy: -32.628 Base-Backbone interact. energy: -0.931 local terms energy: -36.068868 where: bonds (distance) C4'-P energy: -6.427 bonds (distance) P-C4' energy: -5.806 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -7.331 tors. eta vs tors. theta energy: -8.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -113.800906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.800906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.800906 (E_RNA) where: Base-Base interactions energy: -69.470 where: short stacking energy: -30.478 Base-Backbone interact. energy: -0.001 local terms energy: -44.330183 where: bonds (distance) C4'-P energy: -10.140 bonds (distance) P-C4' energy: -9.732 flat angles C4'-P-C4' energy: -10.368 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -7.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -112.519668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.519668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.519668 (E_RNA) where: Base-Base interactions energy: -69.548 where: short stacking energy: -26.545 Base-Backbone interact. energy: -0.424 local terms energy: -42.547338 where: bonds (distance) C4'-P energy: -8.840 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -10.781 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: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -63.433885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.433885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.433885 (E_RNA) where: Base-Base interactions energy: -22.373 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.009 local terms energy: -41.051967 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -6.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -53.817698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.817698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.817698 (E_RNA) where: Base-Base interactions energy: -24.356 where: short stacking energy: -22.703 Base-Backbone interact. energy: -0.005 local terms energy: -29.456130 where: bonds (distance) C4'-P energy: -8.016 bonds (distance) P-C4' energy: -6.135 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -55.500655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.500655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.500655 (E_RNA) where: Base-Base interactions energy: -20.829 where: short stacking energy: -19.792 Base-Backbone interact. energy: -0.061 local terms energy: -34.610712 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -50.797403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.797403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.797403 (E_RNA) where: Base-Base interactions energy: -21.390 where: short stacking energy: -20.002 Base-Backbone interact. energy: -0.018 local terms energy: -29.389259 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -7.697 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -48.068607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.068607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.068607 (E_RNA) where: Base-Base interactions energy: -17.339 where: short stacking energy: -17.339 Base-Backbone interact. energy: -0.003 local terms energy: -30.726452 where: bonds (distance) C4'-P energy: -5.073 bonds (distance) P-C4' energy: -9.535 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -6.323 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -114.372873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.372873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.372873 (E_RNA) where: Base-Base interactions energy: -72.906 where: short stacking energy: -34.374 Base-Backbone interact. energy: 0.751 local terms energy: -42.217648 where: bonds (distance) C4'-P energy: -9.204 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: -7.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -119.878648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.878648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.878648 (E_RNA) where: Base-Base interactions energy: -75.270 where: short stacking energy: -31.037 Base-Backbone interact. energy: -0.101 local terms energy: -44.507811 where: bonds (distance) C4'-P energy: -9.358 bonds (distance) P-C4' energy: -9.358 flat angles C4'-P-C4' energy: -10.359 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -11.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -111.089466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.089466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.089466 (E_RNA) where: Base-Base interactions energy: -70.560 where: short stacking energy: -29.032 Base-Backbone interact. energy: -0.431 local terms energy: -40.098246 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -9.442 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -6.725 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -110.983281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.983281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.983281 (E_RNA) where: Base-Base interactions energy: -75.317 where: short stacking energy: -31.765 Base-Backbone interact. energy: -0.033 local terms energy: -35.633917 where: bonds (distance) C4'-P energy: -8.845 bonds (distance) P-C4' energy: -9.097 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -109.112161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.112161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.112161 (E_RNA) where: Base-Base interactions energy: -71.260 where: short stacking energy: -27.669 Base-Backbone interact. energy: -0.000 local terms energy: -37.851649 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.705 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -59.262135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.262135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.262135 (E_RNA) where: Base-Base interactions energy: -27.249 where: short stacking energy: -15.379 Base-Backbone interact. energy: -0.009 local terms energy: -32.003741 where: bonds (distance) C4'-P energy: -7.321 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -0.266 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: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -62.303018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.303018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.303018 (E_RNA) where: Base-Base interactions energy: -26.721 where: short stacking energy: -26.721 Base-Backbone interact. energy: -0.005 local terms energy: -35.576907 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -7.675 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -3.761 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: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -53.368072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.368072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.368072 (E_RNA) where: Base-Base interactions energy: -22.260 where: short stacking energy: -18.105 Base-Backbone interact. energy: -0.194 local terms energy: -30.914598 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.490 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -4.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -59.744644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.744644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.744644 (E_RNA) where: Base-Base interactions energy: -22.291 where: short stacking energy: -22.291 Base-Backbone interact. energy: -0.013 local terms energy: -37.440548 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -9.341 flat angles P-C4'-P energy: -6.731 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -50.525560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.525560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.525560 (E_RNA) where: Base-Base interactions energy: -18.611 where: short stacking energy: -17.902 Base-Backbone interact. energy: -0.110 local terms energy: -31.804320 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -7.393 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -0.670 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: 1, replica: 6 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -118.106070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.106070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.106070 (E_RNA) where: Base-Base interactions energy: -74.603 where: short stacking energy: -33.803 Base-Backbone interact. energy: -0.392 local terms energy: -43.110452 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -8.946 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: 4 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -116.151765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.151765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.151765 (E_RNA) where: Base-Base interactions energy: -75.792 where: short stacking energy: -28.465 Base-Backbone interact. energy: -0.004 local terms energy: -40.355359 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -9.211 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -8.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -112.254096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.254096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.254096 (E_RNA) where: Base-Base interactions energy: -76.972 where: short stacking energy: -32.969 Base-Backbone interact. energy: -0.026 local terms energy: -35.255731 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -115.212251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.212251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.212251 (E_RNA) where: Base-Base interactions energy: -77.087 where: short stacking energy: -30.577 Base-Backbone interact. energy: -0.018 local terms energy: -38.107558 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -9.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -108.802743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.802743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.802743 (E_RNA) where: Base-Base interactions energy: -74.395 where: short stacking energy: -31.551 Base-Backbone interact. energy: -0.002 local terms energy: -34.406040 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -9.796 flat angles C4'-P-C4' energy: -9.661 flat angles P-C4'-P energy: -0.718 tors. eta vs tors. theta energy: -7.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -64.393364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.393364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.393364 (E_RNA) where: Base-Base interactions energy: -27.868 where: short stacking energy: -27.868 Base-Backbone interact. energy: -0.073 local terms energy: -36.451577 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -53.438600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.438600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.438600 (E_RNA) where: Base-Base interactions energy: -23.141 where: short stacking energy: -13.796 Base-Backbone interact. energy: 0.561 local terms energy: -30.858717 where: bonds (distance) C4'-P energy: -6.538 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -7.006 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -51.643602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.643602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.643602 (E_RNA) where: Base-Base interactions energy: -22.841 where: short stacking energy: -15.387 Base-Backbone interact. energy: -0.538 local terms energy: -28.264442 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -48.195435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.195435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.195435 (E_RNA) where: Base-Base interactions energy: -19.570 where: short stacking energy: -19.570 Base-Backbone interact. energy: -0.003 local terms energy: -28.622228 where: bonds (distance) C4'-P energy: -2.012 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -10.840 flat angles P-C4'-P energy: -1.608 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -47.736497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.736497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.736497 (E_RNA) where: Base-Base interactions energy: -15.129 where: short stacking energy: -14.365 Base-Backbone interact. energy: -0.125 local terms energy: -32.482327 where: bonds (distance) C4'-P energy: -8.302 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -111.971704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.971704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.971704 (E_RNA) where: Base-Base interactions energy: -73.741 where: short stacking energy: -26.044 Base-Backbone interact. energy: 0.362 local terms energy: -38.592993 where: bonds (distance) C4'-P energy: -8.803 bonds (distance) P-C4' energy: -8.523 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -7.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -121.912245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.912245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.912245 (E_RNA) where: Base-Base interactions energy: -81.804 where: short stacking energy: -32.240 Base-Backbone interact. energy: -0.002 local terms energy: -40.106981 where: bonds (distance) C4'-P energy: -8.376 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -8.751 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -10.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -115.392078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.392078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.392078 (E_RNA) where: Base-Base interactions energy: -74.182 where: short stacking energy: -29.785 Base-Backbone interact. energy: -0.660 local terms energy: -40.549985 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -9.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -108.547218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.547218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.547218 (E_RNA) where: Base-Base interactions energy: -68.624 where: short stacking energy: -27.916 Base-Backbone interact. energy: -0.062 local terms energy: -39.861567 where: bonds (distance) C4'-P energy: -9.149 bonds (distance) P-C4' energy: -8.491 flat angles C4'-P-C4' energy: -10.350 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -7.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -107.857695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.857695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.857695 (E_RNA) where: Base-Base interactions energy: -66.540 where: short stacking energy: -32.660 Base-Backbone interact. energy: -0.276 local terms energy: -41.041638 where: bonds (distance) C4'-P energy: -8.625 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -9.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -64.843127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.843127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.843127 (E_RNA) where: Base-Base interactions energy: -28.704 where: short stacking energy: -28.704 Base-Backbone interact. energy: -0.001 local terms energy: -36.138829 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -7.210 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -8.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -61.955833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.955833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.955833 (E_RNA) where: Base-Base interactions energy: -33.182 where: short stacking energy: -19.643 Base-Backbone interact. energy: -0.102 local terms energy: -28.671119 where: bonds (distance) C4'-P energy: -7.611 bonds (distance) P-C4' energy: -6.949 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -1.806 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: 8, replica: 7 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -50.805389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.805389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.805389 (E_RNA) where: Base-Base interactions energy: -13.951 where: short stacking energy: -13.559 Base-Backbone interact. energy: -0.007 local terms energy: -36.847701 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -8.773 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -50.654469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.654469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.654469 (E_RNA) where: Base-Base interactions energy: -18.228 where: short stacking energy: -16.658 Base-Backbone interact. energy: -0.006 local terms energy: -32.420463 where: bonds (distance) C4'-P energy: -8.757 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -1.480 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -47.629082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.629082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.629082 (E_RNA) where: Base-Base interactions energy: -18.214 where: short stacking energy: -18.214 Base-Backbone interact. energy: -0.013 local terms energy: -29.401298 where: bonds (distance) C4'-P energy: -7.019 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -118.334817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.334817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.334817 (E_RNA) where: Base-Base interactions energy: -73.829 where: short stacking energy: -25.918 Base-Backbone interact. energy: -0.900 local terms energy: -43.605433 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -9.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -113.607504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.607504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.607504 (E_RNA) where: Base-Base interactions energy: -74.100 where: short stacking energy: -31.071 Base-Backbone interact. energy: -0.328 local terms energy: -39.179370 where: bonds (distance) C4'-P energy: -8.978 bonds (distance) P-C4' energy: -9.545 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -5.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -109.026694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.026694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.026694 (E_RNA) where: Base-Base interactions energy: -73.969 where: short stacking energy: -31.588 Base-Backbone interact. energy: -0.603 local terms energy: -34.454837 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -8.817 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: 1.980 tors. eta vs tors. theta energy: -9.382 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: 4, replica: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -112.051120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.051120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.051120 (E_RNA) where: Base-Base interactions energy: -70.649 where: short stacking energy: -29.351 Base-Backbone interact. energy: 0.669 local terms energy: -42.071064 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -7.596 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: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -112.738610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.738610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.738610 (E_RNA) where: Base-Base interactions energy: -70.395 where: short stacking energy: -31.750 Base-Backbone interact. energy: -0.354 local terms energy: -41.989067 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -9.380 flat angles C4'-P-C4' energy: -8.930 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -9.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -54.625049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.625049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.625049 (E_RNA) where: Base-Base interactions energy: -25.447 where: short stacking energy: -15.315 Base-Backbone interact. energy: -0.002 local terms energy: -29.175389 where: bonds (distance) C4'-P energy: -7.143 bonds (distance) P-C4' energy: -5.721 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -56.380096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.380096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.380096 (E_RNA) where: Base-Base interactions energy: -23.134 where: short stacking energy: -17.902 Base-Backbone interact. energy: 2.141 local terms energy: -35.387595 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: -3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -52.827950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.827950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.827950 (E_RNA) where: Base-Base interactions energy: -22.671 where: short stacking energy: -15.938 Base-Backbone interact. energy: -0.493 local terms energy: -29.664228 where: bonds (distance) C4'-P energy: -4.940 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -0.685 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: 291 Temperature: 1.300000 Total energy: -58.839816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.839816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.839816 (E_RNA) where: Base-Base interactions energy: -21.942 where: short stacking energy: -17.465 Base-Backbone interact. energy: -0.165 local terms energy: -36.733711 where: bonds (distance) C4'-P energy: -8.393 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -9.856 flat angles P-C4'-P energy: -8.135 tors. eta vs tors. theta energy: -3.319 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: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -56.373920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.373920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.373920 (E_RNA) where: Base-Base interactions energy: -23.315 where: short stacking energy: -18.475 Base-Backbone interact. energy: -0.091 local terms energy: -32.968033 where: bonds (distance) C4'-P energy: -6.538 bonds (distance) P-C4' energy: -7.773 flat angles C4'-P-C4' energy: -9.849 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -5.076 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: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -119.640585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.640585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.640585 (E_RNA) where: Base-Base interactions energy: -74.588 where: short stacking energy: -36.326 Base-Backbone interact. energy: -0.001 local terms energy: -45.051696 where: bonds (distance) C4'-P energy: -9.341 bonds (distance) P-C4' energy: -10.649 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -8.071 tors. eta vs tors. theta energy: -9.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -114.042657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.042657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.042657 (E_RNA) where: Base-Base interactions energy: -71.696 where: short stacking energy: -31.358 Base-Backbone interact. energy: -0.026 local terms energy: -42.320457 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -9.723 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -8.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -111.217203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.217203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.217203 (E_RNA) where: Base-Base interactions energy: -76.276 where: short stacking energy: -27.307 Base-Backbone interact. energy: 0.544 local terms energy: -35.486014 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -9.696 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -8.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -110.927876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.927876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.927876 (E_RNA) where: Base-Base interactions energy: -70.767 where: short stacking energy: -33.485 Base-Backbone interact. energy: -0.007 local terms energy: -40.153172 where: bonds (distance) C4'-P energy: -7.316 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -7.970 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: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -112.734363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.734363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.734363 (E_RNA) where: Base-Base interactions energy: -66.440 where: short stacking energy: -29.514 Base-Backbone interact. energy: -0.804 local terms energy: -45.490784 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -8.768 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -58.512568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.512568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.512568 (E_RNA) where: Base-Base interactions energy: -26.059 where: short stacking energy: -26.059 Base-Backbone interact. energy: -0.005 local terms energy: -32.449189 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -11.597 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -53.600463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.600463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.600463 (E_RNA) where: Base-Base interactions energy: -20.994 where: short stacking energy: -19.108 Base-Backbone interact. energy: -0.030 local terms energy: -32.576282 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -4.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -62.263407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.263407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.263407 (E_RNA) where: Base-Base interactions energy: -28.510 where: short stacking energy: -24.628 Base-Backbone interact. energy: -0.061 local terms energy: -33.692763 where: bonds (distance) C4'-P energy: -5.554 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -7.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -56.074029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.074029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.074029 (E_RNA) where: Base-Base interactions energy: -23.443 where: short stacking energy: -21.004 Base-Backbone interact. energy: -0.004 local terms energy: -32.627516 where: bonds (distance) C4'-P energy: -8.463 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -50.202085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.202085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.202085 (E_RNA) where: Base-Base interactions energy: -19.218 where: short stacking energy: -12.452 Base-Backbone interact. energy: -0.018 local terms energy: -30.966604 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -115.349079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.349079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.349079 (E_RNA) where: Base-Base interactions energy: -76.053 where: short stacking energy: -29.678 Base-Backbone interact. energy: -0.031 local terms energy: -39.264945 where: bonds (distance) C4'-P energy: -9.263 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -9.295 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -118.506571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.506571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.506571 (E_RNA) where: Base-Base interactions energy: -78.905 where: short stacking energy: -36.337 Base-Backbone interact. energy: -0.000 local terms energy: -39.601036 where: bonds (distance) C4'-P energy: -7.896 bonds (distance) P-C4' energy: -7.842 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -9.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -110.733973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.733973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.733973 (E_RNA) where: Base-Base interactions energy: -67.814 where: short stacking energy: -28.511 Base-Backbone interact. energy: -0.023 local terms energy: -42.897849 where: bonds (distance) C4'-P energy: -8.960 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -7.351 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: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -114.564091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.564091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.564091 (E_RNA) where: Base-Base interactions energy: -75.866 where: short stacking energy: -33.121 Base-Backbone interact. energy: -0.016 local terms energy: -38.682045 where: bonds (distance) C4'-P energy: -7.925 bonds (distance) P-C4' energy: -9.637 flat angles C4'-P-C4' energy: -9.658 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -7.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -104.736078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.736078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.736078 (E_RNA) where: Base-Base interactions energy: -62.059 where: short stacking energy: -26.737 Base-Backbone interact. energy: -0.523 local terms energy: -42.153969 where: bonds (distance) C4'-P energy: -9.680 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -8.221 tors. eta vs tors. theta energy: -6.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -64.698850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.698850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.698850 (E_RNA) where: Base-Base interactions energy: -31.655 where: short stacking energy: -26.781 Base-Backbone interact. energy: -0.279 local terms energy: -32.764340 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -10.504 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -61.639023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.639023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.639023 (E_RNA) where: Base-Base interactions energy: -27.758 where: short stacking energy: -27.758 Base-Backbone interact. energy: -0.053 local terms energy: -33.828221 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -11.068 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -53.382740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.382740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.382740 (E_RNA) where: Base-Base interactions energy: -17.429 where: short stacking energy: -15.224 Base-Backbone interact. energy: -0.123 local terms energy: -35.830191 where: bonds (distance) C4'-P energy: -7.727 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -59.278808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.278808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.278808 (E_RNA) where: Base-Base interactions energy: -27.352 where: short stacking energy: -19.882 Base-Backbone interact. energy: -0.062 local terms energy: -31.864377 where: bonds (distance) C4'-P energy: -8.856 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -49.147393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.147393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.147393 (E_RNA) where: Base-Base interactions energy: -19.027 where: short stacking energy: -15.942 Base-Backbone interact. energy: -0.545 local terms energy: -29.575605 where: bonds (distance) C4'-P energy: -6.687 bonds (distance) P-C4' energy: -4.622 flat angles C4'-P-C4' energy: -9.849 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -118.950176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.950176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.950176 (E_RNA) where: Base-Base interactions energy: -75.377 where: short stacking energy: -35.356 Base-Backbone interact. energy: -0.191 local terms energy: -43.382507 where: bonds (distance) C4'-P energy: -6.787 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -10.095 flat angles P-C4'-P energy: -7.707 tors. eta vs tors. theta energy: -9.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -119.060776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.060776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.060776 (E_RNA) where: Base-Base interactions energy: -78.072 where: short stacking energy: -29.205 Base-Backbone interact. energy: -0.115 local terms energy: -40.874290 where: bonds (distance) C4'-P energy: -7.967 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -10.419 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -4.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -111.048340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.048340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.048340 (E_RNA) where: Base-Base interactions energy: -75.397 where: short stacking energy: -31.890 Base-Backbone interact. energy: 1.051 local terms energy: -36.702123 where: bonds (distance) C4'-P energy: -8.907 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -106.951117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.951117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.951117 (E_RNA) where: Base-Base interactions energy: -65.735 where: short stacking energy: -25.644 Base-Backbone interact. energy: -0.272 local terms energy: -40.944178 where: bonds (distance) C4'-P energy: -8.447 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -9.915 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -8.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -80.395575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.395575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.395575 (E_RNA) where: Base-Base interactions energy: -43.812 where: short stacking energy: -27.362 Base-Backbone interact. energy: -0.105 local terms energy: -36.479419 where: bonds (distance) C4'-P energy: -5.842 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -9.613 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -6.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -98.661335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.661335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.661335 (E_RNA) where: Base-Base interactions energy: -63.410 where: short stacking energy: -27.229 Base-Backbone interact. energy: -0.090 local terms energy: -35.161504 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -9.538 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -5.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -64.819267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.819267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.819267 (E_RNA) where: Base-Base interactions energy: -26.896 where: short stacking energy: -26.896 Base-Backbone interact. energy: -0.049 local terms energy: -37.874626 where: bonds (distance) C4'-P energy: -9.027 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: -7.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -56.637897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.637897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.637897 (E_RNA) where: Base-Base interactions energy: -21.994 where: short stacking energy: -17.195 Base-Backbone interact. energy: 0.539 local terms energy: -35.182749 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -8.212 flat angles C4'-P-C4' energy: -8.840 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -4.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -52.653891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.653891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.653891 (E_RNA) where: Base-Base interactions energy: -19.925 where: short stacking energy: -19.925 Base-Backbone interact. energy: -0.000 local terms energy: -32.728955 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -53.082500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.082500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.082500 (E_RNA) where: Base-Base interactions energy: -23.845 where: short stacking energy: -13.517 Base-Backbone interact. energy: -0.050 local terms energy: -29.188239 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -9.052 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -118.479127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.479127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.479127 (E_RNA) where: Base-Base interactions energy: -82.047 where: short stacking energy: -30.168 Base-Backbone interact. energy: -0.013 local terms energy: -36.418819 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -2.012 tors. eta vs tors. theta energy: -8.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -113.262978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.262978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.262978 (E_RNA) where: Base-Base interactions energy: -77.802 where: short stacking energy: -31.344 Base-Backbone interact. energy: -0.006 local terms energy: -35.454895 where: bonds (distance) C4'-P energy: -5.983 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -9.921 flat angles P-C4'-P energy: -1.730 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -114.017084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.017084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.017084 (E_RNA) where: Base-Base interactions energy: -76.339 where: short stacking energy: -30.275 Base-Backbone interact. energy: -0.388 local terms energy: -37.289844 where: bonds (distance) C4'-P energy: -5.272 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -8.740 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: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -103.368356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.368356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.368356 (E_RNA) where: Base-Base interactions energy: -62.247 where: short stacking energy: -22.568 Base-Backbone interact. energy: -0.001 local terms energy: -41.119934 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -8.703 flat angles C4'-P-C4' energy: -9.850 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -59.665192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.665192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.665192 (E_RNA) where: Base-Base interactions energy: -27.032 where: short stacking energy: -14.896 Base-Backbone interact. energy: -0.233 local terms energy: -32.400490 where: bonds (distance) C4'-P energy: -7.718 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -8.833 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -52.168706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.168706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.168706 (E_RNA) where: Base-Base interactions energy: -22.824 where: short stacking energy: -22.824 Base-Backbone interact. energy: -0.003 local terms energy: -29.342183 where: bonds (distance) C4'-P energy: -6.646 bonds (distance) P-C4' energy: -8.877 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -1.704 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: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -108.034506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.034506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.034506 (E_RNA) where: Base-Base interactions energy: -71.628 where: short stacking energy: -29.084 Base-Backbone interact. energy: -0.108 local terms energy: -36.298175 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -5.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -53.320253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.320253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.320253 (E_RNA) where: Base-Base interactions energy: -18.716 where: short stacking energy: -16.894 Base-Backbone interact. energy: -0.013 local terms energy: -34.591394 where: bonds (distance) C4'-P energy: -10.649 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -61.044860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.044860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.044860 (E_RNA) where: Base-Base interactions energy: -24.339 where: short stacking energy: -21.920 Base-Backbone interact. energy: -0.027 local terms energy: -36.678783 where: bonds (distance) C4'-P energy: -8.622 bonds (distance) P-C4' energy: -9.395 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -7.284 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -54.224137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.224137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.224137 (E_RNA) where: Base-Base interactions energy: -17.025 where: short stacking energy: -17.025 Base-Backbone interact. energy: -0.227 local terms energy: -36.971489 where: bonds (distance) C4'-P energy: -9.088 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -116.622860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.622860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.622860 (E_RNA) where: Base-Base interactions energy: -69.745 where: short stacking energy: -33.402 Base-Backbone interact. energy: -0.606 local terms energy: -46.272074 where: bonds (distance) C4'-P energy: -9.787 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -12.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -117.735538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.735538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.735538 (E_RNA) where: Base-Base interactions energy: -80.763 where: short stacking energy: -36.472 Base-Backbone interact. energy: -0.002 local terms energy: -36.971154 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -9.338 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: -9.398 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: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -114.359678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.359678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.359678 (E_RNA) where: Base-Base interactions energy: -73.142 where: short stacking energy: -30.447 Base-Backbone interact. energy: -0.000 local terms energy: -41.217534 where: bonds (distance) C4'-P energy: -8.493 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -8.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -126.106367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.106367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.106367 (E_RNA) where: Base-Base interactions energy: -81.382 where: short stacking energy: -38.965 Base-Backbone interact. energy: -0.001 local terms energy: -44.723831 where: bonds (distance) C4'-P energy: -10.123 bonds (distance) P-C4' energy: -9.907 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -12.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -56.089684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.089684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.089684 (E_RNA) where: Base-Base interactions energy: -22.513 where: short stacking energy: -22.513 Base-Backbone interact. energy: -0.106 local terms energy: -33.470768 where: bonds (distance) C4'-P energy: -10.533 bonds (distance) P-C4' energy: -7.973 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -6.269 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -94.567172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.567172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.567172 (E_RNA) where: Base-Base interactions energy: -60.867 where: short stacking energy: -24.580 Base-Backbone interact. energy: -0.004 local terms energy: -33.696582 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -111.783232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.783232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.783232 (E_RNA) where: Base-Base interactions energy: -72.824 where: short stacking energy: -28.151 Base-Backbone interact. energy: -0.600 local terms energy: -38.358858 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -9.217 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -7.216 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -56.270449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.270449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.270449 (E_RNA) where: Base-Base interactions energy: -30.170 where: short stacking energy: -14.336 Base-Backbone interact. energy: -0.083 local terms energy: -26.017304 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -8.005 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -1.490 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -49.837432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.837432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.837432 (E_RNA) where: Base-Base interactions energy: -25.187 where: short stacking energy: -20.307 Base-Backbone interact. energy: -0.142 local terms energy: -24.508229 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -9.805 flat angles C4'-P-C4' energy: -2.908 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -0.111 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: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -56.434351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.434351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.434351 (E_RNA) where: Base-Base interactions energy: -34.276 where: short stacking energy: -20.418 Base-Backbone interact. energy: 0.795 local terms energy: -22.953303 where: bonds (distance) C4'-P energy: -6.360 bonds (distance) P-C4' energy: -4.281 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -1.755 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -114.851184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.851184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.851184 (E_RNA) where: Base-Base interactions energy: -72.159 where: short stacking energy: -35.160 Base-Backbone interact. energy: -0.001 local terms energy: -42.691419 where: bonds (distance) C4'-P energy: -7.499 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -10.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -113.455794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.455794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.455794 (E_RNA) where: Base-Base interactions energy: -73.326 where: short stacking energy: -28.104 Base-Backbone interact. energy: -0.006 local terms energy: -40.123383 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -9.389 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -9.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -111.730094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.730094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.730094 (E_RNA) where: Base-Base interactions energy: -71.213 where: short stacking energy: -30.731 Base-Backbone interact. energy: 0.858 local terms energy: -41.374455 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -8.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -108.716615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.716615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.716615 (E_RNA) where: Base-Base interactions energy: -66.147 where: short stacking energy: -27.496 Base-Backbone interact. energy: -0.333 local terms energy: -42.237209 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -10.404 flat angles C4'-P-C4' energy: -10.279 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -8.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -67.809051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.809051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.809051 (E_RNA) where: Base-Base interactions energy: -31.335 where: short stacking energy: -18.877 Base-Backbone interact. energy: -0.014 local terms energy: -36.460223 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -9.978 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -4.639 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: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -94.476967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.476967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.476967 (E_RNA) where: Base-Base interactions energy: -63.027 where: short stacking energy: -23.890 Base-Backbone interact. energy: -0.002 local terms energy: -31.448123 where: bonds (distance) C4'-P energy: -5.913 bonds (distance) P-C4' energy: -8.309 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -61.265062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.265062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.265062 (E_RNA) where: Base-Base interactions energy: -32.656 where: short stacking energy: -26.182 Base-Backbone interact. energy: -0.012 local terms energy: -28.597001 where: bonds (distance) C4'-P energy: -7.685 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -58.153362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.153362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.153362 (E_RNA) where: Base-Base interactions energy: -22.217 where: short stacking energy: -22.217 Base-Backbone interact. energy: -0.109 local terms energy: -35.826940 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -45.298472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.298472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.298472 (E_RNA) where: Base-Base interactions energy: -9.865 where: short stacking energy: -9.865 Base-Backbone interact. energy: -0.059 local terms energy: -35.373618 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -49.203917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.203917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.203917 (E_RNA) where: Base-Base interactions energy: -18.237 where: short stacking energy: -18.237 Base-Backbone interact. energy: -0.123 local terms energy: -30.844570 where: bonds (distance) C4'-P energy: -8.459 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -115.743101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.743101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.743101 (E_RNA) where: Base-Base interactions energy: -78.336 where: short stacking energy: -28.567 Base-Backbone interact. energy: -0.176 local terms energy: -37.231640 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -7.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -111.511831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.511831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.511831 (E_RNA) where: Base-Base interactions energy: -76.955 where: short stacking energy: -34.228 Base-Backbone interact. energy: -1.185 local terms energy: -33.371513 where: bonds (distance) C4'-P energy: -6.919 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -10.071 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -113.352496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.352496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.352496 (E_RNA) where: Base-Base interactions energy: -74.302 where: short stacking energy: -28.293 Base-Backbone interact. energy: -0.030 local terms energy: -39.020458 where: bonds (distance) C4'-P energy: -7.532 bonds (distance) P-C4' energy: -9.771 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -113.549869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.549869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.549869 (E_RNA) where: Base-Base interactions energy: -73.332 where: short stacking energy: -32.626 Base-Backbone interact. energy: -0.689 local terms energy: -39.529032 where: bonds (distance) C4'-P energy: -8.244 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -9.703 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -108.717220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.717220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.717220 (E_RNA) where: Base-Base interactions energy: -69.526 where: short stacking energy: -25.886 Base-Backbone interact. energy: -0.139 local terms energy: -39.053102 where: bonds (distance) C4'-P energy: -8.223 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -10.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -54.485334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.485334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.485334 (E_RNA) where: Base-Base interactions energy: -19.525 where: short stacking energy: -19.525 Base-Backbone interact. energy: -0.846 local terms energy: -34.114205 where: bonds (distance) C4'-P energy: -9.436 bonds (distance) P-C4' energy: -9.721 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -76.071498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.071498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.071498 (E_RNA) where: Base-Base interactions energy: -43.548 where: short stacking energy: -31.377 Base-Backbone interact. energy: -0.000 local terms energy: -32.523312 where: bonds (distance) C4'-P energy: -3.077 bonds (distance) P-C4' energy: -8.226 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -7.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -56.827674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.827674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.827674 (E_RNA) where: Base-Base interactions energy: -19.388 where: short stacking energy: -17.929 Base-Backbone interact. energy: -0.004 local terms energy: -37.435123 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -52.020635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.020635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.020635 (E_RNA) where: Base-Base interactions energy: -20.496 where: short stacking energy: -18.432 Base-Backbone interact. energy: -0.078 local terms energy: -31.446020 where: bonds (distance) C4'-P energy: -6.559 bonds (distance) P-C4' energy: -8.719 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -44.919526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.919526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.919526 (E_RNA) where: Base-Base interactions energy: -16.556 where: short stacking energy: -9.766 Base-Backbone interact. energy: -0.372 local terms energy: -27.991000 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -0.383 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: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -126.174289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.174289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.174289 (E_RNA) where: Base-Base interactions energy: -81.935 where: short stacking energy: -35.168 Base-Backbone interact. energy: -0.002 local terms energy: -44.237381 where: bonds (distance) C4'-P energy: -9.358 bonds (distance) P-C4' energy: -10.067 flat angles C4'-P-C4' energy: -9.663 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -11.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -114.707007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.707007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.707007 (E_RNA) where: Base-Base interactions energy: -75.331 where: short stacking energy: -31.322 Base-Backbone interact. energy: -0.044 local terms energy: -39.331766 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -9.088 flat angles C4'-P-C4' energy: -10.001 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -8.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -109.291539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.291539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.291539 (E_RNA) where: Base-Base interactions energy: -72.337 where: short stacking energy: -25.064 Base-Backbone interact. energy: 0.690 local terms energy: -37.644051 where: bonds (distance) C4'-P energy: -7.892 bonds (distance) P-C4' energy: -10.042 flat angles C4'-P-C4' energy: -9.979 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -4.230 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: 6 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -105.434673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.434673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.434673 (E_RNA) where: Base-Base interactions energy: -68.474 where: short stacking energy: -29.758 Base-Backbone interact. energy: -0.086 local terms energy: -36.874992 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -5.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -111.404765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.404765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.404765 (E_RNA) where: Base-Base interactions energy: -78.667 where: short stacking energy: -30.689 Base-Backbone interact. energy: -0.016 local terms energy: -32.721052 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -9.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -105.198767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.198767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.198767 (E_RNA) where: Base-Base interactions energy: -66.657 where: short stacking energy: -22.015 Base-Backbone interact. energy: -0.501 local terms energy: -38.040829 where: bonds (distance) C4'-P energy: -8.694 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -10.501 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -54.158192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.158192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.158192 (E_RNA) where: Base-Base interactions energy: -21.631 where: short stacking energy: -21.631 Base-Backbone interact. energy: -0.092 local terms energy: -32.434903 where: bonds (distance) C4'-P energy: -7.855 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -10.050 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -51.428439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.428439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.428439 (E_RNA) where: Base-Base interactions energy: -24.165 where: short stacking energy: -22.343 Base-Backbone interact. energy: -0.070 local terms energy: -27.194271 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.743 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -1.325 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -44.918706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.918706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.918706 (E_RNA) where: Base-Base interactions energy: -13.084 where: short stacking energy: -13.084 Base-Backbone interact. energy: -0.085 local terms energy: -31.749311 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -48.623578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.623578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.623578 (E_RNA) where: Base-Base interactions energy: -27.562 where: short stacking energy: -15.001 Base-Backbone interact. energy: -0.057 local terms energy: -21.004752 where: bonds (distance) C4'-P energy: -5.184 bonds (distance) P-C4' energy: -7.875 flat angles C4'-P-C4' energy: -9.976 flat angles P-C4'-P energy: -0.510 tors. eta vs tors. theta energy: 2.540 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: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -109.305797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.305797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.305797 (E_RNA) where: Base-Base interactions energy: -69.377 where: short stacking energy: -30.952 Base-Backbone interact. energy: 0.494 local terms energy: -40.422593 where: bonds (distance) C4'-P energy: -9.105 bonds (distance) P-C4' energy: -9.404 flat angles C4'-P-C4' energy: -9.307 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -6.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -118.409321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.409321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.409321 (E_RNA) where: Base-Base interactions energy: -82.583 where: short stacking energy: -30.990 Base-Backbone interact. energy: -0.002 local terms energy: -35.824391 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -9.686 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -9.431 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: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -114.673513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.673513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.673513 (E_RNA) where: Base-Base interactions energy: -75.328 where: short stacking energy: -30.811 Base-Backbone interact. energy: -0.029 local terms energy: -39.316587 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -10.467 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -7.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -107.205740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.205740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.205740 (E_RNA) where: Base-Base interactions energy: -72.175 where: short stacking energy: -28.092 Base-Backbone interact. energy: -0.034 local terms energy: -34.996371 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -9.107 flat angles C4'-P-C4' energy: -8.460 flat angles P-C4'-P energy: -1.400 tors. eta vs tors. theta energy: -8.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -105.738298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.738298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.738298 (E_RNA) where: Base-Base interactions energy: -66.325 where: short stacking energy: -25.632 Base-Backbone interact. energy: -0.151 local terms energy: -39.262109 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -111.517693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.517693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.517693 (E_RNA) where: Base-Base interactions energy: -72.593 where: short stacking energy: -29.406 Base-Backbone interact. energy: -0.001 local terms energy: -38.923593 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -10.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -49.653219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.653219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.653219 (E_RNA) where: Base-Base interactions energy: -19.845 where: short stacking energy: -19.845 Base-Backbone interact. energy: -0.311 local terms energy: -29.497622 where: bonds (distance) C4'-P energy: -9.342 bonds (distance) P-C4' energy: -9.218 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: 0.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -48.373263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.373263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.373263 (E_RNA) where: Base-Base interactions energy: -16.731 where: short stacking energy: -8.278 Base-Backbone interact. energy: -0.214 local terms energy: -31.428016 where: bonds (distance) C4'-P energy: -7.880 bonds (distance) P-C4' energy: -8.660 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -6.805 tors. eta vs tors. theta energy: -0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -50.509493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.509493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.509493 (E_RNA) where: Base-Base interactions energy: -21.958 where: short stacking energy: -17.974 Base-Backbone interact. energy: 1.353 local terms energy: -29.904472 where: bonds (distance) C4'-P energy: -2.945 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -10.188 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -2.510 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: 10, replica: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -51.923584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.923584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.923584 (E_RNA) where: Base-Base interactions energy: -16.904 where: short stacking energy: -14.574 Base-Backbone interact. energy: -0.013 local terms energy: -35.005677 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -10.293 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -121.698322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.698322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.698322 (E_RNA) where: Base-Base interactions energy: -80.227 where: short stacking energy: -36.927 Base-Backbone interact. energy: -0.232 local terms energy: -41.239471 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -116.536294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.536294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.536294 (E_RNA) where: Base-Base interactions energy: -73.820 where: short stacking energy: -33.363 Base-Backbone interact. energy: 0.859 local terms energy: -43.575899 where: bonds (distance) C4'-P energy: -9.118 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -9.872 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -8.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -114.242744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.242744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.242744 (E_RNA) where: Base-Base interactions energy: -76.424 where: short stacking energy: -29.900 Base-Backbone interact. energy: -0.005 local terms energy: -37.813875 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -8.724 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -7.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -107.805056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.805056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.805056 (E_RNA) where: Base-Base interactions energy: -70.712 where: short stacking energy: -23.107 Base-Backbone interact. energy: -0.001 local terms energy: -37.091467 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -10.606 flat angles C4'-P-C4' energy: -9.853 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -1.899 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: 301 Temperature: 1.100000 Total energy: -109.906338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.906338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.906338 (E_RNA) where: Base-Base interactions energy: -75.195 where: short stacking energy: -31.356 Base-Backbone interact. energy: -0.086 local terms energy: -34.624831 where: bonds (distance) C4'-P energy: -6.225 bonds (distance) P-C4' energy: -7.903 flat angles C4'-P-C4' energy: -10.584 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -106.130537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.130537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.130537 (E_RNA) where: Base-Base interactions energy: -67.009 where: short stacking energy: -33.460 Base-Backbone interact. energy: -0.001 local terms energy: -39.120815 where: bonds (distance) C4'-P energy: -7.093 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -9.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -60.304139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.304139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.304139 (E_RNA) where: Base-Base interactions energy: -25.171 where: short stacking energy: -16.142 Base-Backbone interact. energy: -0.004 local terms energy: -35.129405 where: bonds (distance) C4'-P energy: -8.612 bonds (distance) P-C4' energy: -9.796 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -7.074 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: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -52.766016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.766016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.766016 (E_RNA) where: Base-Base interactions energy: -22.114 where: short stacking energy: -19.170 Base-Backbone interact. energy: -0.591 local terms energy: -30.060724 where: bonds (distance) C4'-P energy: -7.805 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -53.000106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.000106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.000106 (E_RNA) where: Base-Base interactions energy: -24.402 where: short stacking energy: -11.782 Base-Backbone interact. energy: -0.125 local terms energy: -28.473422 where: bonds (distance) C4'-P energy: -7.860 bonds (distance) P-C4' energy: -6.390 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -7.056 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -48.545612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.545612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.545612 (E_RNA) where: Base-Base interactions energy: -20.217 where: short stacking energy: -17.442 Base-Backbone interact. energy: -2.243 local terms energy: -26.085554 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -7.024 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -118.629132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.629132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.629132 (E_RNA) where: Base-Base interactions energy: -82.623 where: short stacking energy: -32.252 Base-Backbone interact. energy: -0.005 local terms energy: -36.001112 where: bonds (distance) C4'-P energy: -9.671 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -9.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -113.066199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.066199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.066199 (E_RNA) where: Base-Base interactions energy: -81.332 where: short stacking energy: -35.433 Base-Backbone interact. energy: -0.147 local terms energy: -31.587372 where: bonds (distance) C4'-P energy: -8.542 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -1.649 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -7.468 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: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -113.774475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.774475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.774475 (E_RNA) where: Base-Base interactions energy: -75.802 where: short stacking energy: -31.716 Base-Backbone interact. energy: -0.036 local terms energy: -37.936038 where: bonds (distance) C4'-P energy: -10.417 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -6.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -108.350498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.350498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.350498 (E_RNA) where: Base-Base interactions energy: -67.965 where: short stacking energy: -28.755 Base-Backbone interact. energy: -0.436 local terms energy: -39.949165 where: bonds (distance) C4'-P energy: -9.229 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -107.363120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.363120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.363120 (E_RNA) where: Base-Base interactions energy: -64.941 where: short stacking energy: -31.087 Base-Backbone interact. energy: -0.622 local terms energy: -41.799713 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -8.785 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: -6.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -104.073810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.073810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.073810 (E_RNA) where: Base-Base interactions energy: -61.749 where: short stacking energy: -30.328 Base-Backbone interact. energy: -0.001 local terms energy: -42.323394 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -8.873 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -48.477935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.477935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.477935 (E_RNA) where: Base-Base interactions energy: -12.759 where: short stacking energy: -12.759 Base-Backbone interact. energy: -0.517 local terms energy: -35.201451 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -9.883 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -57.375249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.375249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.375249 (E_RNA) where: Base-Base interactions energy: -26.035 where: short stacking energy: -26.035 Base-Backbone interact. energy: -0.092 local terms energy: -31.248354 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -50.648234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.648234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.648234 (E_RNA) where: Base-Base interactions energy: -20.343 where: short stacking energy: -20.343 Base-Backbone interact. energy: -0.084 local terms energy: -30.221078 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -46.749955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.749955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.749955 (E_RNA) where: Base-Base interactions energy: -15.933 where: short stacking energy: -15.478 Base-Backbone interact. energy: -0.086 local terms energy: -30.731203 where: bonds (distance) C4'-P energy: -8.215 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -8.402 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -126.271408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.271408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.271408 (E_RNA) where: Base-Base interactions energy: -84.900 where: short stacking energy: -39.412 Base-Backbone interact. energy: -0.003 local terms energy: -41.368376 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -9.679 flat angles C4'-P-C4' energy: -8.804 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -11.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -110.908898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.908898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.908898 (E_RNA) where: Base-Base interactions energy: -77.886 where: short stacking energy: -29.776 Base-Backbone interact. energy: -0.941 local terms energy: -32.081908 where: bonds (distance) C4'-P energy: -6.021 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -108.901811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.901811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.901811 (E_RNA) where: Base-Base interactions energy: -71.465 where: short stacking energy: -28.540 Base-Backbone interact. energy: -0.011 local terms energy: -37.425702 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -7.428 flat angles C4'-P-C4' energy: -8.729 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -110.359426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.359426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.359426 (E_RNA) where: Base-Base interactions energy: -68.018 where: short stacking energy: -31.763 Base-Backbone interact. energy: -0.397 local terms energy: -41.944342 where: bonds (distance) C4'-P energy: -9.738 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -6.604 tors. eta vs tors. theta energy: -9.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -109.178614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.178614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.178614 (E_RNA) where: Base-Base interactions energy: -70.640 where: short stacking energy: -25.598 Base-Backbone interact. energy: 0.107 local terms energy: -38.646004 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -9.458 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -7.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -62.298690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.298690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.298690 (E_RNA) where: Base-Base interactions energy: -25.858 where: short stacking energy: -25.858 Base-Backbone interact. energy: -0.009 local terms energy: -36.432369 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -98.004642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.004642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.004642 (E_RNA) where: Base-Base interactions energy: -59.686 where: short stacking energy: -24.230 Base-Backbone interact. energy: 0.736 local terms energy: -39.055082 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -5.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -66.212599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.212599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.212599 (E_RNA) where: Base-Base interactions energy: -24.079 where: short stacking energy: -24.079 Base-Backbone interact. energy: -0.001 local terms energy: -42.132892 where: bonds (distance) C4'-P energy: -8.856 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -9.065 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -8.310 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: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -49.860813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.860813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.860813 (E_RNA) where: Base-Base interactions energy: -18.412 where: short stacking energy: -18.412 Base-Backbone interact. energy: -0.098 local terms energy: -31.350909 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -49.522559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.522559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.522559 (E_RNA) where: Base-Base interactions energy: -16.593 where: short stacking energy: -14.510 Base-Backbone interact. energy: -0.243 local terms energy: -32.686824 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -8.176 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -0.928 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: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -127.149126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.149126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.149126 (E_RNA) where: Base-Base interactions energy: -84.900 where: short stacking energy: -36.676 Base-Backbone interact. energy: -0.003 local terms energy: -42.245443 where: bonds (distance) C4'-P energy: -8.369 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -9.510 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -10.173 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: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -119.474963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.474963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.474963 (E_RNA) where: Base-Base interactions energy: -83.366 where: short stacking energy: -29.481 Base-Backbone interact. energy: -0.389 local terms energy: -35.719797 where: bonds (distance) C4'-P energy: -8.513 bonds (distance) P-C4' energy: -7.400 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -118.259254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.259254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.259254 (E_RNA) where: Base-Base interactions energy: -82.810 where: short stacking energy: -33.768 Base-Backbone interact. energy: -0.002 local terms energy: -35.446915 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -9.627 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: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -105.603664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.603664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.603664 (E_RNA) where: Base-Base interactions energy: -71.832 where: short stacking energy: -27.448 Base-Backbone interact. energy: -0.921 local terms energy: -32.850553 where: bonds (distance) C4'-P energy: -8.409 bonds (distance) P-C4' energy: -7.695 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -110.273202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.273202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.273202 (E_RNA) where: Base-Base interactions energy: -66.328 where: short stacking energy: -24.431 Base-Backbone interact. energy: -0.000 local terms energy: -43.944926 where: bonds (distance) C4'-P energy: -8.099 bonds (distance) P-C4' energy: -10.559 flat angles C4'-P-C4' energy: -10.273 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -8.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -70.888086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.888086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.888086 (E_RNA) where: Base-Base interactions energy: -37.773 where: short stacking energy: -14.817 Base-Backbone interact. energy: -0.503 local terms energy: -32.612347 where: bonds (distance) C4'-P energy: -9.966 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -110.477011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.477011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.477011 (E_RNA) where: Base-Base interactions energy: -72.415 where: short stacking energy: -30.978 Base-Backbone interact. energy: -0.291 local terms energy: -37.771667 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -51.505650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.505650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.505650 (E_RNA) where: Base-Base interactions energy: -21.935 where: short stacking energy: -21.935 Base-Backbone interact. energy: -0.021 local terms energy: -29.550503 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -4.903 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -5.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -54.020949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.020949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.020949 (E_RNA) where: Base-Base interactions energy: -23.496 where: short stacking energy: -15.977 Base-Backbone interact. energy: -0.040 local terms energy: -30.484838 where: bonds (distance) C4'-P energy: -5.339 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -49.593570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.593570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.593570 (E_RNA) where: Base-Base interactions energy: -17.731 where: short stacking energy: -17.731 Base-Backbone interact. energy: 0.102 local terms energy: -31.964757 where: bonds (distance) C4'-P energy: -5.622 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -7.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -127.786291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.786291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.786291 (E_RNA) where: Base-Base interactions energy: -87.663 where: short stacking energy: -37.399 Base-Backbone interact. energy: -0.013 local terms energy: -40.110334 where: bonds (distance) C4'-P energy: -9.474 bonds (distance) P-C4' energy: -8.039 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -10.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -114.955737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.955737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.955737 (E_RNA) where: Base-Base interactions energy: -79.197 where: short stacking energy: -29.628 Base-Backbone interact. energy: -0.109 local terms energy: -35.649160 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -0.935 tors. eta vs tors. theta energy: -5.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -117.322891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.322891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.322891 (E_RNA) where: Base-Base interactions energy: -80.148 where: short stacking energy: -29.294 Base-Backbone interact. energy: -0.016 local terms energy: -37.158547 where: bonds (distance) C4'-P energy: -2.700 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -10.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -113.143255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.143255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.143255 (E_RNA) where: Base-Base interactions energy: -77.835 where: short stacking energy: -30.459 Base-Backbone interact. energy: -0.005 local terms energy: -35.303102 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -101.101923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.101923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.101923 (E_RNA) where: Base-Base interactions energy: -64.051 where: short stacking energy: -26.094 Base-Backbone interact. energy: -0.143 local terms energy: -36.908086 where: bonds (distance) C4'-P energy: -9.787 bonds (distance) P-C4' energy: -10.155 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -103.868251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.868251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.868251 (E_RNA) where: Base-Base interactions energy: -69.178 where: short stacking energy: -29.824 Base-Backbone interact. energy: 0.278 local terms energy: -34.968064 where: bonds (distance) C4'-P energy: -8.467 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -7.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -58.000438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.000438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.000438 (E_RNA) where: Base-Base interactions energy: -22.137 where: short stacking energy: -21.916 Base-Backbone interact. energy: -0.086 local terms energy: -35.777664 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -6.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -60.844218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.844218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.844218 (E_RNA) where: Base-Base interactions energy: -29.073 where: short stacking energy: -16.653 Base-Backbone interact. energy: 1.256 local terms energy: -33.027012 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -52.468631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.468631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.468631 (E_RNA) where: Base-Base interactions energy: -23.051 where: short stacking energy: -19.707 Base-Backbone interact. energy: -0.039 local terms energy: -29.378292 where: bonds (distance) C4'-P energy: -7.921 bonds (distance) P-C4' energy: -8.953 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -1.603 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: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -46.489500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.489500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.489500 (E_RNA) where: Base-Base interactions energy: -17.293 where: short stacking energy: -14.568 Base-Backbone interact. energy: 0.411 local terms energy: -29.607998 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -6.317 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -125.785254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.785254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.785254 (E_RNA) where: Base-Base interactions energy: -84.538 where: short stacking energy: -35.912 Base-Backbone interact. energy: -0.013 local terms energy: -41.234835 where: bonds (distance) C4'-P energy: -7.449 bonds (distance) P-C4' energy: -11.085 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -7.388 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: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -116.530990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.530990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.530990 (E_RNA) where: Base-Base interactions energy: -81.947 where: short stacking energy: -31.690 Base-Backbone interact. energy: -0.122 local terms energy: -34.461539 where: bonds (distance) C4'-P energy: -7.665 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -118.805323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.805323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.805323 (E_RNA) where: Base-Base interactions energy: -76.038 where: short stacking energy: -35.962 Base-Backbone interact. energy: -0.000 local terms energy: -42.767142 where: bonds (distance) C4'-P energy: -8.864 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -9.955 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -9.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -106.839330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.839330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.839330 (E_RNA) where: Base-Base interactions energy: -69.646 where: short stacking energy: -27.644 Base-Backbone interact. energy: -0.005 local terms energy: -37.187704 where: bonds (distance) C4'-P energy: -7.950 bonds (distance) P-C4' energy: -8.306 flat angles C4'-P-C4' energy: -10.066 flat angles P-C4'-P energy: -7.580 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -104.906802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.906802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.906802 (E_RNA) where: Base-Base interactions energy: -71.054 where: short stacking energy: -28.165 Base-Backbone interact. energy: 0.030 local terms energy: -33.882815 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -3.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -102.305776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.305776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.305776 (E_RNA) where: Base-Base interactions energy: -67.501 where: short stacking energy: -25.157 Base-Backbone interact. energy: -0.626 local terms energy: -34.178826 where: bonds (distance) C4'-P energy: -9.846 bonds (distance) P-C4' energy: -6.984 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -1.794 tors. eta vs tors. theta energy: -6.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -59.318488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.318488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.318488 (E_RNA) where: Base-Base interactions energy: -31.890 where: short stacking energy: -27.821 Base-Backbone interact. energy: 0.644 local terms energy: -28.072172 where: bonds (distance) C4'-P energy: -3.165 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -6.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -60.418548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.418548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.418548 (E_RNA) where: Base-Base interactions energy: -22.919 where: short stacking energy: -18.768 Base-Backbone interact. energy: -0.093 local terms energy: -37.407438 where: bonds (distance) C4'-P energy: -8.244 bonds (distance) P-C4' energy: -9.663 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -8.654 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -48.258869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.258869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.258869 (E_RNA) where: Base-Base interactions energy: -22.803 where: short stacking energy: -7.781 Base-Backbone interact. energy: -0.153 local terms energy: -25.302605 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -50.590387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.590387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.590387 (E_RNA) where: Base-Base interactions energy: -13.681 where: short stacking energy: -13.681 Base-Backbone interact. energy: -0.002 local terms energy: -36.907974 where: bonds (distance) C4'-P energy: -8.384 bonds (distance) P-C4' energy: -9.543 flat angles C4'-P-C4' energy: -9.245 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -119.236045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.236045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.236045 (E_RNA) where: Base-Base interactions energy: -73.760 where: short stacking energy: -35.087 Base-Backbone interact. energy: -0.000 local terms energy: -45.475550 where: bonds (distance) C4'-P energy: -8.368 bonds (distance) P-C4' energy: -10.196 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -12.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -113.784076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.784076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.784076 (E_RNA) where: Base-Base interactions energy: -74.634 where: short stacking energy: -36.798 Base-Backbone interact. energy: -0.346 local terms energy: -38.803640 where: bonds (distance) C4'-P energy: -8.153 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -9.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -111.720111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.720111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.720111 (E_RNA) where: Base-Base interactions energy: -68.795 where: short stacking energy: -31.246 Base-Backbone interact. energy: -0.000 local terms energy: -42.925316 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -7.773 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: -11.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -108.725806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.725806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.725806 (E_RNA) where: Base-Base interactions energy: -67.907 where: short stacking energy: -23.612 Base-Backbone interact. energy: -0.101 local terms energy: -40.717877 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -6.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -110.167950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.167950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.167950 (E_RNA) where: Base-Base interactions energy: -67.673 where: short stacking energy: -27.504 Base-Backbone interact. energy: 0.106 local terms energy: -42.601257 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -9.545 flat angles C4'-P-C4' energy: -9.629 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: -8.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -102.527639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.527639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.527639 (E_RNA) where: Base-Base interactions energy: -68.740 where: short stacking energy: -29.362 Base-Backbone interact. energy: -1.133 local terms energy: -32.655164 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -6.939 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -56.122731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.122731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.122731 (E_RNA) where: Base-Base interactions energy: -25.775 where: short stacking energy: -11.893 Base-Backbone interact. energy: -0.450 local terms energy: -29.897853 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -7.050 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -6.599 tors. eta vs tors. theta energy: 0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -55.562386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.562386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.562386 (E_RNA) where: Base-Base interactions energy: -25.604 where: short stacking energy: -12.692 Base-Backbone interact. energy: -0.008 local terms energy: -29.951058 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -51.965527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.965527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.965527 (E_RNA) where: Base-Base interactions energy: -17.545 where: short stacking energy: -17.545 Base-Backbone interact. energy: -0.007 local terms energy: -34.413637 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -9.387 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -48.107817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.107817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.107817 (E_RNA) where: Base-Base interactions energy: -17.149 where: short stacking energy: -17.149 Base-Backbone interact. energy: -0.083 local terms energy: -30.875879 where: bonds (distance) C4'-P energy: -7.557 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -9.693 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: 1.155 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: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -124.082841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.082841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.082841 (E_RNA) where: Base-Base interactions energy: -82.360 where: short stacking energy: -25.820 Base-Backbone interact. energy: -0.678 local terms energy: -41.045343 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -9.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -118.089229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.089229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.089229 (E_RNA) where: Base-Base interactions energy: -82.631 where: short stacking energy: -33.423 Base-Backbone interact. energy: -0.008 local terms energy: -35.450852 where: bonds (distance) C4'-P energy: -8.041 bonds (distance) P-C4' energy: -7.536 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -10.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -114.986097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.986097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.986097 (E_RNA) where: Base-Base interactions energy: -73.452 where: short stacking energy: -34.632 Base-Backbone interact. energy: -0.092 local terms energy: -41.441607 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -7.355 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: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -115.958997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.958997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.958997 (E_RNA) where: Base-Base interactions energy: -75.317 where: short stacking energy: -31.344 Base-Backbone interact. energy: -0.000 local terms energy: -40.641534 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -10.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -100.900011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.900011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.900011 (E_RNA) where: Base-Base interactions energy: -62.569 where: short stacking energy: -23.582 Base-Backbone interact. energy: -1.674 local terms energy: -36.656740 where: bonds (distance) C4'-P energy: -7.168 bonds (distance) P-C4' energy: -10.175 flat angles C4'-P-C4' energy: -9.589 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -4.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -104.981757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.981757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.981757 (E_RNA) where: Base-Base interactions energy: -76.219 where: short stacking energy: -33.132 Base-Backbone interact. energy: -0.010 local terms energy: -28.752910 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -5.782 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -51.975151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.975151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.975151 (E_RNA) where: Base-Base interactions energy: -22.212 where: short stacking energy: -16.733 Base-Backbone interact. energy: -0.033 local terms energy: -29.730276 where: bonds (distance) C4'-P energy: -6.849 bonds (distance) P-C4' energy: -9.646 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: 2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -55.931152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.931152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.931152 (E_RNA) where: Base-Base interactions energy: -21.225 where: short stacking energy: -20.623 Base-Backbone interact. energy: -0.064 local terms energy: -34.642711 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -10.033 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -6.157 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: 9, replica: 8 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -54.881483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.881483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.881483 (E_RNA) where: Base-Base interactions energy: -19.609 where: short stacking energy: -19.609 Base-Backbone interact. energy: -0.035 local terms energy: -35.237119 where: bonds (distance) C4'-P energy: -6.107 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -10.150 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -50.038747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.038747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.038747 (E_RNA) where: Base-Base interactions energy: -12.502 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.094 local terms energy: -37.443506 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -9.717 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -0.843 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: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -116.798029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.798029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.798029 (E_RNA) where: Base-Base interactions energy: -71.795 where: short stacking energy: -30.310 Base-Backbone interact. energy: -0.031 local terms energy: -44.971959 where: bonds (distance) C4'-P energy: -8.591 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -8.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -114.658791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.658791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.658791 (E_RNA) where: Base-Base interactions energy: -73.935 where: short stacking energy: -33.573 Base-Backbone interact. energy: -0.518 local terms energy: -40.206274 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -10.407 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -7.710 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: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -118.706055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.706055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.706055 (E_RNA) where: Base-Base interactions energy: -77.962 where: short stacking energy: -34.183 Base-Backbone interact. energy: -0.000 local terms energy: -40.743666 where: bonds (distance) C4'-P energy: -9.660 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -8.876 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -9.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -115.413787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.413787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.413787 (E_RNA) where: Base-Base interactions energy: -77.305 where: short stacking energy: -33.423 Base-Backbone interact. energy: -0.524 local terms energy: -37.584447 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -8.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -106.583506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.583506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.583506 (E_RNA) where: Base-Base interactions energy: -70.087 where: short stacking energy: -31.077 Base-Backbone interact. energy: -0.091 local terms energy: -36.405628 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -9.772 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -102.219582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.219582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.219582 (E_RNA) where: Base-Base interactions energy: -68.032 where: short stacking energy: -27.385 Base-Backbone interact. energy: -0.193 local terms energy: -33.994259 where: bonds (distance) C4'-P energy: -6.741 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -10.106 flat angles P-C4'-P energy: -1.805 tors. eta vs tors. theta energy: -5.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -64.903809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.903809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.903809 (E_RNA) where: Base-Base interactions energy: -38.858 where: short stacking energy: -14.636 Base-Backbone interact. energy: -0.053 local terms energy: -25.993339 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -2.314 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -57.603552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.603552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.603552 (E_RNA) where: Base-Base interactions energy: -23.945 where: short stacking energy: -16.114 Base-Backbone interact. energy: -0.172 local terms energy: -33.486304 where: bonds (distance) C4'-P energy: -7.860 bonds (distance) P-C4' energy: -10.180 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -53.130644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.130644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.130644 (E_RNA) where: Base-Base interactions energy: -22.569 where: short stacking energy: -14.729 Base-Backbone interact. energy: -0.170 local terms energy: -30.391694 where: bonds (distance) C4'-P energy: -3.465 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -9.507 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -49.091777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.091777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.091777 (E_RNA) where: Base-Base interactions energy: -22.422 where: short stacking energy: -13.429 Base-Backbone interact. energy: -0.013 local terms energy: -26.656695 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: 2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -116.605636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.605636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.605636 (E_RNA) where: Base-Base interactions energy: -71.647 where: short stacking energy: -28.655 Base-Backbone interact. energy: -0.512 local terms energy: -44.447166 where: bonds (distance) C4'-P energy: -8.682 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -10.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -118.710931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.710931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.710931 (E_RNA) where: Base-Base interactions energy: -74.612 where: short stacking energy: -33.306 Base-Backbone interact. energy: -0.949 local terms energy: -43.149665 where: bonds (distance) C4'-P energy: -9.059 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -8.963 flat angles P-C4'-P energy: -8.555 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -110.177818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.177818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.177818 (E_RNA) where: Base-Base interactions energy: -70.656 where: short stacking energy: -29.697 Base-Backbone interact. energy: 0.471 local terms energy: -39.993466 where: bonds (distance) C4'-P energy: -7.631 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -7.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -114.608993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.608993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.608993 (E_RNA) where: Base-Base interactions energy: -77.805 where: short stacking energy: -23.406 Base-Backbone interact. energy: -0.109 local terms energy: -36.695451 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -6.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -107.566494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.566494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.566494 (E_RNA) where: Base-Base interactions energy: -66.221 where: short stacking energy: -24.193 Base-Backbone interact. energy: -0.071 local terms energy: -41.273738 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -10.670 flat angles C4'-P-C4' energy: -9.343 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -104.194328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.194328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.194328 (E_RNA) where: Base-Base interactions energy: -67.337 where: short stacking energy: -29.324 Base-Backbone interact. energy: -0.635 local terms energy: -36.222924 where: bonds (distance) C4'-P energy: -8.463 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -1.456 tors. eta vs tors. theta energy: -8.466 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: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -51.012114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.012114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.012114 (E_RNA) where: Base-Base interactions energy: -23.767 where: short stacking energy: -20.770 Base-Backbone interact. energy: -0.024 local terms energy: -27.221398 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -2.803 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -45.502250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.502250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.502250 (E_RNA) where: Base-Base interactions energy: -14.162 where: short stacking energy: -14.162 Base-Backbone interact. energy: -0.108 local terms energy: -31.232429 where: bonds (distance) C4'-P energy: -9.771 bonds (distance) P-C4' energy: -10.300 flat angles C4'-P-C4' energy: -8.361 flat angles P-C4'-P energy: -0.649 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -97.054890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.054890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.054890 (E_RNA) where: Base-Base interactions energy: -59.521 where: short stacking energy: -20.753 Base-Backbone interact. energy: -0.641 local terms energy: -36.891960 where: bonds (distance) C4'-P energy: -4.845 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -8.700 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -6.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -43.206443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.206443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.206443 (E_RNA) where: Base-Base interactions energy: -17.946 where: short stacking energy: -17.946 Base-Backbone interact. energy: -0.003 local terms energy: -25.256620 where: bonds (distance) C4'-P energy: -6.505 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -0.059 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: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -123.940881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.940881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.940881 (E_RNA) where: Base-Base interactions energy: -87.536 where: short stacking energy: -37.607 Base-Backbone interact. energy: -0.064 local terms energy: -36.341267 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -6.399 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -10.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -113.270505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.270505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.270505 (E_RNA) where: Base-Base interactions energy: -75.909 where: short stacking energy: -31.672 Base-Backbone interact. energy: -0.001 local terms energy: -37.360232 where: bonds (distance) C4'-P energy: -8.741 bonds (distance) P-C4' energy: -9.911 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -7.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -109.283616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.283616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.283616 (E_RNA) where: Base-Base interactions energy: -73.685 where: short stacking energy: -29.205 Base-Backbone interact. energy: -0.011 local terms energy: -35.587205 where: bonds (distance) C4'-P energy: -8.604 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -110.378909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.378909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.378909 (E_RNA) where: Base-Base interactions energy: -74.943 where: short stacking energy: -29.886 Base-Backbone interact. energy: -0.003 local terms energy: -35.432534 where: bonds (distance) C4'-P energy: -7.188 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -112.129579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.129579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.129579 (E_RNA) where: Base-Base interactions energy: -74.550 where: short stacking energy: -34.419 Base-Backbone interact. energy: -0.002 local terms energy: -37.577344 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -10.611 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -103.686709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.686709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.686709 (E_RNA) where: Base-Base interactions energy: -60.388 where: short stacking energy: -27.851 Base-Backbone interact. energy: -0.092 local terms energy: -43.207167 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -8.860 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -67.679988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.679988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.679988 (E_RNA) where: Base-Base interactions energy: -33.265 where: short stacking energy: -33.265 Base-Backbone interact. energy: -0.000 local terms energy: -34.415014 where: bonds (distance) C4'-P energy: -6.923 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -9.496 flat angles P-C4'-P energy: -1.379 tors. eta vs tors. theta energy: -8.470 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: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -98.314552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.314552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.314552 (E_RNA) where: Base-Base interactions energy: -63.278 where: short stacking energy: -27.137 Base-Backbone interact. energy: -0.113 local terms energy: -34.923793 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -2.480 tors. eta vs tors. theta energy: -9.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -48.783946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.783946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.783946 (E_RNA) where: Base-Base interactions energy: -16.800 where: short stacking energy: -16.663 Base-Backbone interact. energy: -0.139 local terms energy: -31.844759 where: bonds (distance) C4'-P energy: -7.826 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -49.386555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.386555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.386555 (E_RNA) where: Base-Base interactions energy: -19.134 where: short stacking energy: -14.088 Base-Backbone interact. energy: -0.214 local terms energy: -30.038399 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -9.151 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: 0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -120.667293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.667293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.667293 (E_RNA) where: Base-Base interactions energy: -80.671 where: short stacking energy: -34.872 Base-Backbone interact. energy: -0.003 local terms energy: -39.993032 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -10.596 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -6.408 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: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -116.485505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.485505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.485505 (E_RNA) where: Base-Base interactions energy: -70.135 where: short stacking energy: -34.770 Base-Backbone interact. energy: -1.056 local terms energy: -45.294675 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -7.477 tors. eta vs tors. theta energy: -10.685 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: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -115.271694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.271694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.271694 (E_RNA) where: Base-Base interactions energy: -70.801 where: short stacking energy: -31.756 Base-Backbone interact. energy: -1.021 local terms energy: -43.450007 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -10.549 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -9.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -105.892269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.892269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.892269 (E_RNA) where: Base-Base interactions energy: -66.835 where: short stacking energy: -27.522 Base-Backbone interact. energy: -0.137 local terms energy: -38.920185 where: bonds (distance) C4'-P energy: -7.064 bonds (distance) P-C4' energy: -10.361 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -8.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -106.520084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.520084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.520084 (E_RNA) where: Base-Base interactions energy: -67.301 where: short stacking energy: -27.015 Base-Backbone interact. energy: -0.219 local terms energy: -38.999184 where: bonds (distance) C4'-P energy: -9.697 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -4.655 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: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -100.863171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.863171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.863171 (E_RNA) where: Base-Base interactions energy: -65.891 where: short stacking energy: -28.125 Base-Backbone interact. energy: -0.035 local terms energy: -34.936635 where: bonds (distance) C4'-P energy: -8.199 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -1.547 tors. eta vs tors. theta energy: -11.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -99.366378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.366378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.366378 (E_RNA) where: Base-Base interactions energy: -61.614 where: short stacking energy: -27.976 Base-Backbone interact. energy: -2.318 local terms energy: -35.434208 where: bonds (distance) C4'-P energy: -8.508 bonds (distance) P-C4' energy: -6.086 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -8.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -60.664450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.664450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.664450 (E_RNA) where: Base-Base interactions energy: -25.423 where: short stacking energy: -22.494 Base-Backbone interact. energy: -0.002 local terms energy: -35.239273 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -9.714 flat angles C4'-P-C4' energy: -9.316 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -51.610530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.610530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.610530 (E_RNA) where: Base-Base interactions energy: -19.069 where: short stacking energy: -18.294 Base-Backbone interact. energy: -0.112 local terms energy: -32.429784 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -9.643 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -47.167038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.167038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.167038 (E_RNA) where: Base-Base interactions energy: -12.044 where: short stacking energy: -12.044 Base-Backbone interact. energy: -0.005 local terms energy: -35.118285 where: bonds (distance) C4'-P energy: -9.204 bonds (distance) P-C4' energy: -10.064 flat angles C4'-P-C4' energy: -9.962 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -120.487297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.487297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.487297 (E_RNA) where: Base-Base interactions energy: -79.118 where: short stacking energy: -33.750 Base-Backbone interact. energy: -0.000 local terms energy: -41.369240 where: bonds (distance) C4'-P energy: -7.911 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -7.992 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -9.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -115.099019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.099019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.099019 (E_RNA) where: Base-Base interactions energy: -73.831 where: short stacking energy: -31.230 Base-Backbone interact. energy: -1.222 local terms energy: -40.045813 where: bonds (distance) C4'-P energy: -8.422 bonds (distance) P-C4' energy: -7.708 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -7.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -112.487018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.487018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.487018 (E_RNA) where: Base-Base interactions energy: -74.024 where: short stacking energy: -34.471 Base-Backbone interact. energy: -0.334 local terms energy: -38.129331 where: bonds (distance) C4'-P energy: -8.732 bonds (distance) P-C4' energy: -10.327 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -7.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -113.766247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.766247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.766247 (E_RNA) where: Base-Base interactions energy: -74.799 where: short stacking energy: -37.495 Base-Backbone interact. energy: -0.001 local terms energy: -38.966295 where: bonds (distance) C4'-P energy: -7.143 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -10.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -109.700513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.700513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.700513 (E_RNA) where: Base-Base interactions energy: -67.034 where: short stacking energy: -25.663 Base-Backbone interact. energy: -1.648 local terms energy: -41.018958 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -10.138 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -7.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -105.548186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.548186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.548186 (E_RNA) where: Base-Base interactions energy: -65.965 where: short stacking energy: -24.914 Base-Backbone interact. energy: -0.005 local terms energy: -39.577968 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -7.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -105.775637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.775637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.775637 (E_RNA) where: Base-Base interactions energy: -75.582 where: short stacking energy: -26.000 Base-Backbone interact. energy: -0.118 local terms energy: -30.076112 where: bonds (distance) C4'-P energy: -4.476 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -58.139533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.139533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.139533 (E_RNA) where: Base-Base interactions energy: -24.673 where: short stacking energy: -22.771 Base-Backbone interact. energy: -0.001 local terms energy: -33.465728 where: bonds (distance) C4'-P energy: -8.622 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -50.614488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.614488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.614488 (E_RNA) where: Base-Base interactions energy: -21.917 where: short stacking energy: -21.917 Base-Backbone interact. energy: -0.000 local terms energy: -28.697275 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -49.295174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.295174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.295174 (E_RNA) where: Base-Base interactions energy: -17.474 where: short stacking energy: -17.474 Base-Backbone interact. energy: -0.277 local terms energy: -31.544031 where: bonds (distance) C4'-P energy: -3.877 bonds (distance) P-C4' energy: -9.721 flat angles C4'-P-C4' energy: -8.871 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: -1.679 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: 1, replica: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -111.884722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.884722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.884722 (E_RNA) where: Base-Base interactions energy: -75.393 where: short stacking energy: -32.080 Base-Backbone interact. energy: -0.006 local terms energy: -36.485254 where: bonds (distance) C4'-P energy: -8.364 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -10.109 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -115.879542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.879542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.879542 (E_RNA) where: Base-Base interactions energy: -78.287 where: short stacking energy: -31.385 Base-Backbone interact. energy: -0.255 local terms energy: -37.337056 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -8.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -113.766975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.766975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.766975 (E_RNA) where: Base-Base interactions energy: -83.029 where: short stacking energy: -35.417 Base-Backbone interact. energy: -0.006 local terms energy: -30.732033 where: bonds (distance) C4'-P energy: -5.452 bonds (distance) P-C4' energy: -4.263 flat angles C4'-P-C4' energy: -9.601 flat angles P-C4'-P energy: 0.094 tors. eta vs tors. theta energy: -11.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -111.972945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.972945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.972945 (E_RNA) where: Base-Base interactions energy: -79.437 where: short stacking energy: -32.340 Base-Backbone interact. energy: -0.002 local terms energy: -32.533963 where: bonds (distance) C4'-P energy: -2.253 bonds (distance) P-C4' energy: -9.370 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -8.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -107.890779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.890779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.890779 (E_RNA) where: Base-Base interactions energy: -66.434 where: short stacking energy: -28.086 Base-Backbone interact. energy: -1.179 local terms energy: -40.277609 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -101.587076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.587076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.587076 (E_RNA) where: Base-Base interactions energy: -68.564 where: short stacking energy: -23.945 Base-Backbone interact. energy: -1.212 local terms energy: -31.810680 where: bonds (distance) C4'-P energy: -9.262 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -4.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -95.237441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.237441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.237441 (E_RNA) where: Base-Base interactions energy: -60.236 where: short stacking energy: -23.045 Base-Backbone interact. energy: -0.003 local terms energy: -34.998434 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -6.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -51.579409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.579409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.579409 (E_RNA) where: Base-Base interactions energy: -15.887 where: short stacking energy: -15.904 Base-Backbone interact. energy: -0.115 local terms energy: -35.578266 where: bonds (distance) C4'-P energy: -8.674 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -8.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -53.051466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.051466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.051466 (E_RNA) where: Base-Base interactions energy: -24.115 where: short stacking energy: -13.080 Base-Backbone interact. energy: -0.051 local terms energy: -28.885352 where: bonds (distance) C4'-P energy: -5.383 bonds (distance) P-C4' energy: -10.665 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -46.126458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.126458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.126458 (E_RNA) where: Base-Base interactions energy: -15.299 where: short stacking energy: -14.453 Base-Backbone interact. energy: -0.009 local terms energy: -30.818453 where: bonds (distance) C4'-P energy: -7.403 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -9.658 flat angles P-C4'-P energy: -1.671 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -117.020218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.020218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.020218 (E_RNA) where: Base-Base interactions energy: -68.436 where: short stacking energy: -32.734 Base-Backbone interact. energy: -0.396 local terms energy: -48.188662 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -9.876 flat angles P-C4'-P energy: -8.184 tors. eta vs tors. theta energy: -9.868 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: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -114.998911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.998911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.998911 (E_RNA) where: Base-Base interactions energy: -74.570 where: short stacking energy: -32.584 Base-Backbone interact. energy: -0.111 local terms energy: -40.317931 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -8.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -114.428334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.428334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.428334 (E_RNA) where: Base-Base interactions energy: -75.241 where: short stacking energy: -30.554 Base-Backbone interact. energy: -0.014 local terms energy: -39.173461 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -111.427719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.427719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.427719 (E_RNA) where: Base-Base interactions energy: -71.008 where: short stacking energy: -27.349 Base-Backbone interact. energy: -0.009 local terms energy: -40.411009 where: bonds (distance) C4'-P energy: -10.657 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -5.833 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: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -102.739053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.739053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.739053 (E_RNA) where: Base-Base interactions energy: -68.053 where: short stacking energy: -28.089 Base-Backbone interact. energy: 1.108 local terms energy: -35.794160 where: bonds (distance) C4'-P energy: -9.113 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -9.762 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -99.664574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.664574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.664574 (E_RNA) where: Base-Base interactions energy: -69.384 where: short stacking energy: -30.755 Base-Backbone interact. energy: 0.183 local terms energy: -30.463627 where: bonds (distance) C4'-P energy: -5.548 bonds (distance) P-C4' energy: -7.669 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -6.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -70.798913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.798913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.798913 (E_RNA) where: Base-Base interactions energy: -36.907 where: short stacking energy: -12.897 Base-Backbone interact. energy: -0.253 local terms energy: -33.639487 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -9.242 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -50.099535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.099535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.099535 (E_RNA) where: Base-Base interactions energy: -16.852 where: short stacking energy: -16.633 Base-Backbone interact. energy: -0.055 local terms energy: -33.192768 where: bonds (distance) C4'-P energy: -7.881 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -47.725666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.725666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.725666 (E_RNA) where: Base-Base interactions energy: -13.915 where: short stacking energy: -13.915 Base-Backbone interact. energy: -0.501 local terms energy: -33.309780 where: bonds (distance) C4'-P energy: -8.669 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -49.505866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.505866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.505866 (E_RNA) where: Base-Base interactions energy: -22.554 where: short stacking energy: -12.163 Base-Backbone interact. energy: -0.105 local terms energy: -26.846403 where: bonds (distance) C4'-P energy: -7.069 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -9.423 flat angles P-C4'-P energy: -1.462 tors. eta vs tors. theta energy: 0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -116.822200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.822200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.822200 (E_RNA) where: Base-Base interactions energy: -73.217 where: short stacking energy: -34.522 Base-Backbone interact. energy: -0.010 local terms energy: -43.595610 where: bonds (distance) C4'-P energy: -7.557 bonds (distance) P-C4' energy: -9.965 flat angles C4'-P-C4' energy: -9.631 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -10.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -114.843769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.843769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.843769 (E_RNA) where: Base-Base interactions energy: -75.145 where: short stacking energy: -30.871 Base-Backbone interact. energy: -0.691 local terms energy: -39.008284 where: bonds (distance) C4'-P energy: -7.019 bonds (distance) P-C4' energy: -8.841 flat angles C4'-P-C4' energy: -9.270 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -10.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -108.107287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.107287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.107287 (E_RNA) where: Base-Base interactions energy: -68.886 where: short stacking energy: -26.741 Base-Backbone interact. energy: -0.090 local terms energy: -39.131012 where: bonds (distance) C4'-P energy: -5.756 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -9.608 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -9.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -107.988688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.988688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.988688 (E_RNA) where: Base-Base interactions energy: -65.921 where: short stacking energy: -31.266 Base-Backbone interact. energy: -0.006 local terms energy: -42.061301 where: bonds (distance) C4'-P energy: -9.216 bonds (distance) P-C4' energy: -9.678 flat angles C4'-P-C4' energy: -9.571 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -8.859 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: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -109.383852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.383852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.383852 (E_RNA) where: Base-Base interactions energy: -70.862 where: short stacking energy: -31.255 Base-Backbone interact. energy: 1.515 local terms energy: -40.035960 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -9.463 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -8.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -89.817262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.817262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.817262 (E_RNA) where: Base-Base interactions energy: -53.931 where: short stacking energy: -23.551 Base-Backbone interact. energy: -0.770 local terms energy: -35.117022 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -9.079 flat angles C4'-P-C4' energy: -8.615 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -50.060943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.060943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.060943 (E_RNA) where: Base-Base interactions energy: -13.015 where: short stacking energy: -13.015 Base-Backbone interact. energy: -0.046 local terms energy: -36.999648 where: bonds (distance) C4'-P energy: -8.513 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -8.821 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -57.203827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.203827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.203827 (E_RNA) where: Base-Base interactions energy: -22.763 where: short stacking energy: -17.474 Base-Backbone interact. energy: -0.242 local terms energy: -34.198369 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -7.811 flat angles C4'-P-C4' energy: -9.474 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -45.446249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.446249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.446249 (E_RNA) where: Base-Base interactions energy: -13.159 where: short stacking energy: -13.159 Base-Backbone interact. energy: 0.702 local terms energy: -32.988943 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -45.468948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.468948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.468948 (E_RNA) where: Base-Base interactions energy: -15.495 where: short stacking energy: -14.700 Base-Backbone interact. energy: -0.108 local terms energy: -29.866668 where: bonds (distance) C4'-P energy: -7.744 bonds (distance) P-C4' energy: -9.510 flat angles C4'-P-C4' energy: -8.753 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -124.073175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.073175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.073175 (E_RNA) where: Base-Base interactions energy: -83.631 where: short stacking energy: -34.797 Base-Backbone interact. energy: -0.000 local terms energy: -40.442229 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -9.633 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -6.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -113.204375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.204375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.204375 (E_RNA) where: Base-Base interactions energy: -72.857 where: short stacking energy: -32.616 Base-Backbone interact. energy: -0.329 local terms energy: -40.019263 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -8.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -115.851994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.851994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.851994 (E_RNA) where: Base-Base interactions energy: -72.522 where: short stacking energy: -35.222 Base-Backbone interact. energy: -0.067 local terms energy: -43.263074 where: bonds (distance) C4'-P energy: -10.417 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -10.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -110.278314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.278314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.278314 (E_RNA) where: Base-Base interactions energy: -67.090 where: short stacking energy: -30.439 Base-Backbone interact. energy: -0.448 local terms energy: -42.740201 where: bonds (distance) C4'-P energy: -8.521 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -10.029 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -11.033 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: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -115.182314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.182314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.182314 (E_RNA) where: Base-Base interactions energy: -75.420 where: short stacking energy: -31.247 Base-Backbone interact. energy: -0.707 local terms energy: -39.055742 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -8.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -62.364058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.364058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.364058 (E_RNA) where: Base-Base interactions energy: -23.288 where: short stacking energy: -19.886 Base-Backbone interact. energy: -0.084 local terms energy: -38.991745 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -9.582 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -61.966548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.966548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.966548 (E_RNA) where: Base-Base interactions energy: -25.238 where: short stacking energy: -24.741 Base-Backbone interact. energy: -0.013 local terms energy: -36.715043 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -7.546 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -7.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -54.766010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.766010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.766010 (E_RNA) where: Base-Base interactions energy: -14.734 where: short stacking energy: -14.734 Base-Backbone interact. energy: -0.039 local terms energy: -39.992856 where: bonds (distance) C4'-P energy: -9.601 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -9.154 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -58.119908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.119908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.119908 (E_RNA) where: Base-Base interactions energy: -22.739 where: short stacking energy: -17.018 Base-Backbone interact. energy: -0.218 local terms energy: -35.163368 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -6.899 flat angles C4'-P-C4' energy: -8.223 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -57.196765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.196765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.196765 (E_RNA) where: Base-Base interactions energy: -21.958 where: short stacking energy: -21.760 Base-Backbone interact. energy: -0.000 local terms energy: -35.238746 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -8.030 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -117.519476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.519476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.519476 (E_RNA) where: Base-Base interactions energy: -74.917 where: short stacking energy: -35.573 Base-Backbone interact. energy: -0.948 local terms energy: -41.654085 where: bonds (distance) C4'-P energy: -7.606 bonds (distance) P-C4' energy: -6.314 flat angles C4'-P-C4' energy: -10.817 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -9.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -128.336817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.336817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.336817 (E_RNA) where: Base-Base interactions energy: -84.768 where: short stacking energy: -37.268 Base-Backbone interact. energy: -0.042 local terms energy: -43.526251 where: bonds (distance) C4'-P energy: -9.555 bonds (distance) P-C4' energy: -10.824 flat angles C4'-P-C4' energy: -9.307 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -9.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -110.559882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.559882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.559882 (E_RNA) where: Base-Base interactions energy: -77.790 where: short stacking energy: -29.395 Base-Backbone interact. energy: -0.082 local terms energy: -32.687305 where: bonds (distance) C4'-P energy: -8.885 bonds (distance) P-C4' energy: -8.788 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -1.910 tors. eta vs tors. theta energy: -8.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -109.854854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.854854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.854854 (E_RNA) where: Base-Base interactions energy: -68.734 where: short stacking energy: -30.041 Base-Backbone interact. energy: -1.101 local terms energy: -40.020269 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -9.901 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -8.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -109.137478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.137478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.137478 (E_RNA) where: Base-Base interactions energy: -72.517 where: short stacking energy: -25.258 Base-Backbone interact. energy: -0.001 local terms energy: -36.619808 where: bonds (distance) C4'-P energy: -6.286 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -10.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -60.624236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.624236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.624236 (E_RNA) where: Base-Base interactions energy: -29.910 where: short stacking energy: -12.428 Base-Backbone interact. energy: -0.194 local terms energy: -30.520015 where: bonds (distance) C4'-P energy: -6.290 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -52.138763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.138763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.138763 (E_RNA) where: Base-Base interactions energy: -18.490 where: short stacking energy: -18.490 Base-Backbone interact. energy: -0.065 local terms energy: -33.583231 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -53.416010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.416010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.416010 (E_RNA) where: Base-Base interactions energy: -18.578 where: short stacking energy: -18.578 Base-Backbone interact. energy: -0.007 local terms energy: -34.831098 where: bonds (distance) C4'-P energy: -6.567 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -51.169306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.169306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.169306 (E_RNA) where: Base-Base interactions energy: -18.324 where: short stacking energy: -16.229 Base-Backbone interact. energy: -0.418 local terms energy: -32.427678 where: bonds (distance) C4'-P energy: -7.855 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.720 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -3.660 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: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -54.782688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.782688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.782688 (E_RNA) where: Base-Base interactions energy: -22.643 where: short stacking energy: -22.643 Base-Backbone interact. energy: -0.003 local terms energy: -32.136625 where: bonds (distance) C4'-P energy: -7.771 bonds (distance) P-C4' energy: -7.690 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -115.114760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.114760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.114760 (E_RNA) where: Base-Base interactions energy: -73.493 where: short stacking energy: -35.416 Base-Backbone interact. energy: -0.848 local terms energy: -40.774139 where: bonds (distance) C4'-P energy: -9.094 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -7.788 flat angles P-C4'-P energy: -6.887 tors. eta vs tors. theta energy: -7.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -117.686597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.686597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.686597 (E_RNA) where: Base-Base interactions energy: -78.346 where: short stacking energy: -34.907 Base-Backbone interact. energy: -0.093 local terms energy: -39.248075 where: bonds (distance) C4'-P energy: -6.261 bonds (distance) P-C4' energy: -9.224 flat angles C4'-P-C4' energy: -9.694 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -10.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -116.415360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.415360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.415360 (E_RNA) where: Base-Base interactions energy: -75.638 where: short stacking energy: -26.744 Base-Backbone interact. energy: -0.001 local terms energy: -40.775927 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -9.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -104.879951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.879951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.879951 (E_RNA) where: Base-Base interactions energy: -62.418 where: short stacking energy: -27.986 Base-Backbone interact. energy: -0.012 local terms energy: -42.449784 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -7.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -105.328685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.328685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.328685 (E_RNA) where: Base-Base interactions energy: -65.288 where: short stacking energy: -28.507 Base-Backbone interact. energy: -0.298 local terms energy: -39.742364 where: bonds (distance) C4'-P energy: -6.186 bonds (distance) P-C4' energy: -10.144 flat angles C4'-P-C4' energy: -10.120 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -62.000433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.000433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.000433 (E_RNA) where: Base-Base interactions energy: -26.839 where: short stacking energy: -20.434 Base-Backbone interact. energy: 2.024 local terms energy: -37.184963 where: bonds (distance) C4'-P energy: -8.297 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -5.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -57.125423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.125423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.125423 (E_RNA) where: Base-Base interactions energy: -32.634 where: short stacking energy: -16.367 Base-Backbone interact. energy: -0.106 local terms energy: -24.385187 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -0.294 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: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -58.921911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.921911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.921911 (E_RNA) where: Base-Base interactions energy: -25.656 where: short stacking energy: -25.656 Base-Backbone interact. energy: -0.148 local terms energy: -33.117434 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -6.426 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: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -63.982195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.982195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.982195 (E_RNA) where: Base-Base interactions energy: -32.005 where: short stacking energy: -15.840 Base-Backbone interact. energy: 0.666 local terms energy: -32.643766 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -42.108120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.108120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.108120 (E_RNA) where: Base-Base interactions energy: -14.646 where: short stacking energy: -11.957 Base-Backbone interact. energy: -0.972 local terms energy: -26.489827 where: bonds (distance) C4'-P energy: -7.442 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -2.664 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -129.755555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.755555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.755555 (E_RNA) where: Base-Base interactions energy: -85.856 where: short stacking energy: -36.358 Base-Backbone interact. energy: -0.001 local terms energy: -43.898012 where: bonds (distance) C4'-P energy: -8.529 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -10.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -117.877982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.877982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.877982 (E_RNA) where: Base-Base interactions energy: -72.906 where: short stacking energy: -31.237 Base-Backbone interact. energy: -0.153 local terms energy: -44.818254 where: bonds (distance) C4'-P energy: -10.400 bonds (distance) P-C4' energy: -10.595 flat angles C4'-P-C4' energy: -10.056 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -113.928900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.928900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.928900 (E_RNA) where: Base-Base interactions energy: -77.223 where: short stacking energy: -36.986 Base-Backbone interact. energy: -0.073 local terms energy: -36.633044 where: bonds (distance) C4'-P energy: -5.305 bonds (distance) P-C4' energy: -8.756 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -7.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -116.168694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.168694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.168694 (E_RNA) where: Base-Base interactions energy: -76.272 where: short stacking energy: -32.049 Base-Backbone interact. energy: -0.594 local terms energy: -39.303161 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -9.549 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -8.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -107.990614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.990614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.990614 (E_RNA) where: Base-Base interactions energy: -69.853 where: short stacking energy: -29.902 Base-Backbone interact. energy: -0.005 local terms energy: -38.133056 where: bonds (distance) C4'-P energy: -9.606 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -6.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -55.872211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.872211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.872211 (E_RNA) where: Base-Base interactions energy: -21.794 where: short stacking energy: -21.794 Base-Backbone interact. energy: -0.008 local terms energy: -34.069314 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -9.482 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -55.564184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.564184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.564184 (E_RNA) where: Base-Base interactions energy: -21.843 where: short stacking energy: -10.499 Base-Backbone interact. energy: -0.165 local terms energy: -33.555959 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -9.668 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -63.358908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.358908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.358908 (E_RNA) where: Base-Base interactions energy: -27.724 where: short stacking energy: -27.724 Base-Backbone interact. energy: -0.099 local terms energy: -35.535975 where: bonds (distance) C4'-P energy: -5.710 bonds (distance) P-C4' energy: -10.290 flat angles C4'-P-C4' energy: -9.213 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -45.108277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.108277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.108277 (E_RNA) where: Base-Base interactions energy: -17.125 where: short stacking energy: -8.484 Base-Backbone interact. energy: -0.246 local terms energy: -27.737153 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -10.592 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: 2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -53.236861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.236861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.236861 (E_RNA) where: Base-Base interactions energy: -17.870 where: short stacking energy: -17.870 Base-Backbone interact. energy: -0.081 local terms energy: -35.285820 where: bonds (distance) C4'-P energy: -8.616 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -9.560 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -2.008 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: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -122.679929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.679929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.679929 (E_RNA) where: Base-Base interactions energy: -80.183 where: short stacking energy: -34.954 Base-Backbone interact. energy: -0.000 local terms energy: -42.496735 where: bonds (distance) C4'-P energy: -7.462 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -11.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -117.979289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.979289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.979289 (E_RNA) where: Base-Base interactions energy: -75.592 where: short stacking energy: -33.609 Base-Backbone interact. energy: -0.295 local terms energy: -42.092289 where: bonds (distance) C4'-P energy: -8.306 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -7.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -113.652382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.652382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.652382 (E_RNA) where: Base-Base interactions energy: -73.433 where: short stacking energy: -32.384 Base-Backbone interact. energy: -0.197 local terms energy: -40.021837 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -9.033 flat angles C4'-P-C4' energy: -8.629 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: -9.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -110.130548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.130548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.130548 (E_RNA) where: Base-Base interactions energy: -74.271 where: short stacking energy: -33.318 Base-Backbone interact. energy: -0.239 local terms energy: -35.620241 where: bonds (distance) C4'-P energy: -8.745 bonds (distance) P-C4' energy: -5.242 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -9.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -103.853806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.853806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.853806 (E_RNA) where: Base-Base interactions energy: -65.078 where: short stacking energy: -19.658 Base-Backbone interact. energy: 0.779 local terms energy: -39.554810 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -8.392 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -7.311 tors. eta vs tors. theta energy: -7.136 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: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -71.646478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.646478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.646478 (E_RNA) where: Base-Base interactions energy: -42.243 where: short stacking energy: -21.742 Base-Backbone interact. energy: -0.076 local terms energy: -29.326792 where: bonds (distance) C4'-P energy: -7.143 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -1.557 tors. eta vs tors. theta energy: -3.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -64.270120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.270120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.270120 (E_RNA) where: Base-Base interactions energy: -29.196 where: short stacking energy: -29.196 Base-Backbone interact. energy: -0.064 local terms energy: -35.010302 where: bonds (distance) C4'-P energy: -6.149 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -6.216 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -51.569331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.569331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.569331 (E_RNA) where: Base-Base interactions energy: -18.096 where: short stacking energy: -14.210 Base-Backbone interact. energy: -0.110 local terms energy: -33.362661 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -0.380 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: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -53.720482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.720482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.720482 (E_RNA) where: Base-Base interactions energy: -18.664 where: short stacking energy: -18.336 Base-Backbone interact. energy: -0.077 local terms energy: -34.979831 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -10.376 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -3.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -53.919516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.919516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.919516 (E_RNA) where: Base-Base interactions energy: -15.604 where: short stacking energy: -15.604 Base-Backbone interact. energy: -1.325 local terms energy: -36.990730 where: bonds (distance) C4'-P energy: -8.410 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -118.879483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.879483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.879483 (E_RNA) where: Base-Base interactions energy: -74.191 where: short stacking energy: -31.851 Base-Backbone interact. energy: -0.533 local terms energy: -44.155266 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -10.606 flat angles C4'-P-C4' energy: -9.113 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -115.986147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.986147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.986147 (E_RNA) where: Base-Base interactions energy: -71.103 where: short stacking energy: -31.857 Base-Backbone interact. energy: -0.161 local terms energy: -44.722072 where: bonds (distance) C4'-P energy: -9.149 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -9.049 flat angles P-C4'-P energy: -7.445 tors. eta vs tors. theta energy: -8.230 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: 2 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -108.260794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.260794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.260794 (E_RNA) where: Base-Base interactions energy: -75.145 where: short stacking energy: -26.140 Base-Backbone interact. energy: -0.065 local terms energy: -33.050726 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: 0.338 tors. eta vs tors. theta energy: -7.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -115.206313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.206313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.206313 (E_RNA) where: Base-Base interactions energy: -72.490 where: short stacking energy: -30.021 Base-Backbone interact. energy: -0.085 local terms energy: -42.631746 where: bonds (distance) C4'-P energy: -7.019 bonds (distance) P-C4' energy: -9.062 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -11.076 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: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -104.839863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.839863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.839863 (E_RNA) where: Base-Base interactions energy: -65.967 where: short stacking energy: -26.202 Base-Backbone interact. energy: -0.733 local terms energy: -38.140616 where: bonds (distance) C4'-P energy: -9.382 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -5.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -62.962224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.962224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.962224 (E_RNA) where: Base-Base interactions energy: -25.506 where: short stacking energy: -22.885 Base-Backbone interact. energy: 0.724 local terms energy: -38.180575 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -8.753 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -8.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -55.210776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.210776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.210776 (E_RNA) where: Base-Base interactions energy: -23.593 where: short stacking energy: -18.794 Base-Backbone interact. energy: -0.218 local terms energy: -31.400113 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -50.078292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.078292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.078292 (E_RNA) where: Base-Base interactions energy: -17.973 where: short stacking energy: -17.148 Base-Backbone interact. energy: -0.295 local terms energy: -31.809866 where: bonds (distance) C4'-P energy: -7.905 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -9.955 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -51.318486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.318486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.318486 (E_RNA) where: Base-Base interactions energy: -21.094 where: short stacking energy: -15.018 Base-Backbone interact. energy: -0.022 local terms energy: -30.203105 where: bonds (distance) C4'-P energy: -5.880 bonds (distance) P-C4' energy: -8.209 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -52.396183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.396183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.396183 (E_RNA) where: Base-Base interactions energy: -21.925 where: short stacking energy: -12.455 Base-Backbone interact. energy: -0.031 local terms energy: -30.439555 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -4.941 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -123.368173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.368173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.368173 (E_RNA) where: Base-Base interactions energy: -84.890 where: short stacking energy: -36.329 Base-Backbone interact. energy: 0.408 local terms energy: -38.886453 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -9.482 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -9.097 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: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -110.238970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.238970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.238970 (E_RNA) where: Base-Base interactions energy: -71.179 where: short stacking energy: -29.707 Base-Backbone interact. energy: -0.197 local terms energy: -38.863101 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -10.919 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -117.532507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.532507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.532507 (E_RNA) where: Base-Base interactions energy: -74.941 where: short stacking energy: -33.985 Base-Backbone interact. energy: -0.003 local terms energy: -42.588433 where: bonds (distance) C4'-P energy: -7.838 bonds (distance) P-C4' energy: -9.771 flat angles C4'-P-C4' energy: -8.357 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -11.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -106.313324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.313324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.313324 (E_RNA) where: Base-Base interactions energy: -73.152 where: short stacking energy: -25.923 Base-Backbone interact. energy: -0.020 local terms energy: -33.141135 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -7.071 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -8.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -106.631009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.631009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.631009 (E_RNA) where: Base-Base interactions energy: -70.400 where: short stacking energy: -29.487 Base-Backbone interact. energy: -0.006 local terms energy: -36.224444 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -10.208 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -7.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -99.813085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.813085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.813085 (E_RNA) where: Base-Base interactions energy: -72.148 where: short stacking energy: -28.937 Base-Backbone interact. energy: -0.011 local terms energy: -27.653504 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -1.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -63.103614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.103614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.103614 (E_RNA) where: Base-Base interactions energy: -27.686 where: short stacking energy: -21.153 Base-Backbone interact. energy: -0.010 local terms energy: -35.407395 where: bonds (distance) C4'-P energy: -7.705 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -51.214467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.214467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.214467 (E_RNA) where: Base-Base interactions energy: -24.322 where: short stacking energy: -16.176 Base-Backbone interact. energy: -0.588 local terms energy: -26.304259 where: bonds (distance) C4'-P energy: -1.604 bonds (distance) P-C4' energy: -9.907 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -48.233766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.233766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.233766 (E_RNA) where: Base-Base interactions energy: -19.825 where: short stacking energy: -15.728 Base-Backbone interact. energy: -0.075 local terms energy: -28.333735 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -7.450 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: 1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -45.310800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.310800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.310800 (E_RNA) where: Base-Base interactions energy: -14.463 where: short stacking energy: -11.694 Base-Backbone interact. energy: -0.207 local terms energy: -30.640665 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -9.097 flat angles C4'-P-C4' energy: -9.873 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: 0.294 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: 324 Temperature: 0.900000 Total energy: -114.626671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.626671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.626671 (E_RNA) where: Base-Base interactions energy: -79.632 where: short stacking energy: -30.713 Base-Backbone interact. energy: -0.277 local terms energy: -34.717893 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -116.657768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.657768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.657768 (E_RNA) where: Base-Base interactions energy: -76.391 where: short stacking energy: -30.738 Base-Backbone interact. energy: -0.005 local terms energy: -40.262248 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -7.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -117.208641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.208641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.208641 (E_RNA) where: Base-Base interactions energy: -73.435 where: short stacking energy: -32.337 Base-Backbone interact. energy: -0.082 local terms energy: -43.691982 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -9.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -114.758424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.758424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.758424 (E_RNA) where: Base-Base interactions energy: -78.676 where: short stacking energy: -31.689 Base-Backbone interact. energy: -0.851 local terms energy: -35.231064 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -10.591 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -5.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -108.826742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.826742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.826742 (E_RNA) where: Base-Base interactions energy: -68.005 where: short stacking energy: -33.033 Base-Backbone interact. energy: -1.616 local terms energy: -39.205457 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -9.230 flat angles C4'-P-C4' energy: -8.620 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -8.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -112.431951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.431951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.431951 (E_RNA) where: Base-Base interactions energy: -74.808 where: short stacking energy: -30.104 Base-Backbone interact. energy: -0.011 local terms energy: -37.612564 where: bonds (distance) C4'-P energy: -8.008 bonds (distance) P-C4' energy: -8.951 flat angles C4'-P-C4' energy: -9.299 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -8.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -67.682952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.682952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.682952 (E_RNA) where: Base-Base interactions energy: -33.091 where: short stacking energy: -15.802 Base-Backbone interact. energy: -0.190 local terms energy: -34.401951 where: bonds (distance) C4'-P energy: -9.279 bonds (distance) P-C4' energy: -9.969 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -55.199289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.199289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.199289 (E_RNA) where: Base-Base interactions energy: -22.622 where: short stacking energy: -22.622 Base-Backbone interact. energy: -0.053 local terms energy: -32.524013 where: bonds (distance) C4'-P energy: -8.028 bonds (distance) P-C4' energy: -8.266 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -52.088269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.088269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.088269 (E_RNA) where: Base-Base interactions energy: -21.297 where: short stacking energy: -19.793 Base-Backbone interact. energy: -0.147 local terms energy: -30.644068 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -10.362 flat angles P-C4'-P energy: -1.877 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -46.177262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.177262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.177262 (E_RNA) where: Base-Base interactions energy: -14.780 where: short stacking energy: -14.780 Base-Backbone interact. energy: -0.125 local terms energy: -31.272663 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -6.781 flat angles C4'-P-C4' energy: -9.638 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -4.198 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: 325 Temperature: 0.900000 Total energy: -114.714977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.714977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.714977 (E_RNA) where: Base-Base interactions energy: -75.556 where: short stacking energy: -28.433 Base-Backbone interact. energy: -0.008 local terms energy: -39.150843 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.855 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -7.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -114.987321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.987321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.987321 (E_RNA) where: Base-Base interactions energy: -75.274 where: short stacking energy: -31.826 Base-Backbone interact. energy: -0.000 local terms energy: -39.713296 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -7.649 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -9.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -118.509297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.509297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.509297 (E_RNA) where: Base-Base interactions energy: -71.550 where: short stacking energy: -33.526 Base-Backbone interact. energy: -0.709 local terms energy: -46.249388 where: bonds (distance) C4'-P energy: -8.501 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -9.735 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -10.333 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: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -113.941539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.941539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.941539 (E_RNA) where: Base-Base interactions energy: -69.051 where: short stacking energy: -35.024 Base-Backbone interact. energy: -1.054 local terms energy: -43.836196 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -9.660 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -8.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -111.711223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.711223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.711223 (E_RNA) where: Base-Base interactions energy: -71.992 where: short stacking energy: -35.018 Base-Backbone interact. energy: -0.003 local terms energy: -39.715846 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -9.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -109.516968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.516968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.516968 (E_RNA) where: Base-Base interactions energy: -73.505 where: short stacking energy: -31.100 Base-Backbone interact. energy: -0.000 local terms energy: -36.011870 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -10.155 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -1.397 tors. eta vs tors. theta energy: -6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -67.211198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.211198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.211198 (E_RNA) where: Base-Base interactions energy: -32.665 where: short stacking energy: -25.508 Base-Backbone interact. energy: -0.103 local terms energy: -34.443820 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -7.057 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -58.144203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.144203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.144203 (E_RNA) where: Base-Base interactions energy: -21.749 where: short stacking energy: -21.749 Base-Backbone interact. energy: -0.004 local terms energy: -36.390277 where: bonds (distance) C4'-P energy: -5.412 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -10.426 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -58.471980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.471980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.471980 (E_RNA) where: Base-Base interactions energy: -17.939 where: short stacking energy: -17.939 Base-Backbone interact. energy: -0.404 local terms energy: -40.128778 where: bonds (distance) C4'-P energy: -9.771 bonds (distance) P-C4' energy: -9.901 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -7.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -52.004756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.004756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.004756 (E_RNA) where: Base-Base interactions energy: -18.052 where: short stacking energy: -18.052 Base-Backbone interact. energy: -0.001 local terms energy: -33.950965 where: bonds (distance) C4'-P energy: -7.640 bonds (distance) P-C4' energy: -9.717 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: -3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -119.507958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.507958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.507958 (E_RNA) where: Base-Base interactions energy: -75.722 where: short stacking energy: -26.309 Base-Backbone interact. energy: -0.074 local terms energy: -43.712335 where: bonds (distance) C4'-P energy: -8.674 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -8.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -112.941483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.941483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.941483 (E_RNA) where: Base-Base interactions energy: -77.218 where: short stacking energy: -30.785 Base-Backbone interact. energy: -0.092 local terms energy: -35.631869 where: bonds (distance) C4'-P energy: -9.547 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -7.034 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: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -113.046170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.046170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.046170 (E_RNA) where: Base-Base interactions energy: -71.662 where: short stacking energy: -32.815 Base-Backbone interact. energy: -0.293 local terms energy: -41.090546 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -9.919 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -118.971239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.971239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.971239 (E_RNA) where: Base-Base interactions energy: -78.733 where: short stacking energy: -34.104 Base-Backbone interact. energy: -0.013 local terms energy: -40.225899 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -10.230 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -1.914 tors. eta vs tors. theta energy: -11.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -101.888064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.888064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.888064 (E_RNA) where: Base-Base interactions energy: -64.123 where: short stacking energy: -23.412 Base-Backbone interact. energy: -0.950 local terms energy: -36.815336 where: bonds (distance) C4'-P energy: -7.643 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -9.802 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -110.140262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.140262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.140262 (E_RNA) where: Base-Base interactions energy: -67.301 where: short stacking energy: -31.232 Base-Backbone interact. energy: -0.000 local terms energy: -42.839613 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -10.408 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -9.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -65.007531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.007531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.007531 (E_RNA) where: Base-Base interactions energy: -24.320 where: short stacking energy: -20.113 Base-Backbone interact. energy: -0.001 local terms energy: -40.687014 where: bonds (distance) C4'-P energy: -9.714 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -10.373 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -50.525343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.525343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.525343 (E_RNA) where: Base-Base interactions energy: -16.154 where: short stacking energy: -16.154 Base-Backbone interact. energy: 0.516 local terms energy: -34.886953 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -8.838 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -48.709465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.709465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.709465 (E_RNA) where: Base-Base interactions energy: -16.546 where: short stacking energy: -16.546 Base-Backbone interact. energy: -0.819 local terms energy: -31.344491 where: bonds (distance) C4'-P energy: -8.563 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -1.686 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -53.668049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.668049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.668049 (E_RNA) where: Base-Base interactions energy: -14.482 where: short stacking energy: -14.482 Base-Backbone interact. energy: -0.107 local terms energy: -39.079145 where: bonds (distance) C4'-P energy: -8.431 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -123.308412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.308412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.308412 (E_RNA) where: Base-Base interactions energy: -82.448 where: short stacking energy: -33.691 Base-Backbone interact. energy: -0.001 local terms energy: -40.859101 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -10.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -118.854284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.854284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.854284 (E_RNA) where: Base-Base interactions energy: -77.015 where: short stacking energy: -36.675 Base-Backbone interact. energy: -0.005 local terms energy: -41.834675 where: bonds (distance) C4'-P energy: -9.730 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -9.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -111.864905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.864905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.864905 (E_RNA) where: Base-Base interactions energy: -73.380 where: short stacking energy: -33.974 Base-Backbone interact. energy: -0.548 local terms energy: -37.936465 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -114.791804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.791804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.791804 (E_RNA) where: Base-Base interactions energy: -72.619 where: short stacking energy: -28.403 Base-Backbone interact. energy: -0.006 local terms energy: -42.166578 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -9.901 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: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -114.143429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.143429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.143429 (E_RNA) where: Base-Base interactions energy: -69.648 where: short stacking energy: -35.059 Base-Backbone interact. energy: -0.001 local terms energy: -44.493927 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -10.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -105.189508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.189508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.189508 (E_RNA) where: Base-Base interactions energy: -71.894 where: short stacking energy: -31.920 Base-Backbone interact. energy: -0.045 local terms energy: -33.250358 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -5.244 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -55.269941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.269941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.269941 (E_RNA) where: Base-Base interactions energy: -20.943 where: short stacking energy: -17.539 Base-Backbone interact. energy: -0.014 local terms energy: -34.312865 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -8.949 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -2.510 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: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -53.409975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.409975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.409975 (E_RNA) where: Base-Base interactions energy: -19.738 where: short stacking energy: -19.738 Base-Backbone interact. energy: -0.056 local terms energy: -33.616346 where: bonds (distance) C4'-P energy: -6.654 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -10.387 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -48.262380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.262380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.262380 (E_RNA) where: Base-Base interactions energy: -18.843 where: short stacking energy: -14.216 Base-Backbone interact. energy: -0.085 local terms energy: -29.334236 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -49.795946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.795946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.795946 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.012 Base-Backbone interact. energy: -0.000 local terms energy: -36.783535 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -8.491 flat angles C4'-P-C4' energy: -10.042 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -113.778403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.778403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.778403 (E_RNA) where: Base-Base interactions energy: -75.925 where: short stacking energy: -28.170 Base-Backbone interact. energy: -0.287 local terms energy: -37.566627 where: bonds (distance) C4'-P energy: -8.239 bonds (distance) P-C4' energy: -6.024 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -9.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -113.857299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.857299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.857299 (E_RNA) where: Base-Base interactions energy: -78.963 where: short stacking energy: -30.876 Base-Backbone interact. energy: -0.002 local terms energy: -34.892642 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -5.586 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -7.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -110.682812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.682812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.682812 (E_RNA) where: Base-Base interactions energy: -70.232 where: short stacking energy: -30.335 Base-Backbone interact. energy: -0.052 local terms energy: -40.397933 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -10.209 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -6.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -109.138417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.138417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.138417 (E_RNA) where: Base-Base interactions energy: -67.794 where: short stacking energy: -27.940 Base-Backbone interact. energy: -0.031 local terms energy: -41.313963 where: bonds (distance) C4'-P energy: -8.616 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -7.320 tors. eta vs tors. theta energy: -7.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -113.601536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.601536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.601536 (E_RNA) where: Base-Base interactions energy: -72.821 where: short stacking energy: -32.279 Base-Backbone interact. energy: -0.020 local terms energy: -40.760819 where: bonds (distance) C4'-P energy: -8.169 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -11.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -108.961920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.961920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.961920 (E_RNA) where: Base-Base interactions energy: -70.798 where: short stacking energy: -29.138 Base-Backbone interact. energy: -0.001 local terms energy: -38.163731 where: bonds (distance) C4'-P energy: -10.384 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -57.813083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.813083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.813083 (E_RNA) where: Base-Base interactions energy: -20.638 where: short stacking energy: -13.683 Base-Backbone interact. energy: -0.160 local terms energy: -37.014973 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -48.274988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.274988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.274988 (E_RNA) where: Base-Base interactions energy: -19.856 where: short stacking energy: -17.753 Base-Backbone interact. energy: -0.032 local terms energy: -28.387215 where: bonds (distance) C4'-P energy: -5.457 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -51.503670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.503670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.503670 (E_RNA) where: Base-Base interactions energy: -19.694 where: short stacking energy: -16.812 Base-Backbone interact. energy: -0.001 local terms energy: -31.808326 where: bonds (distance) C4'-P energy: -3.209 bonds (distance) P-C4' energy: -9.646 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -67.115924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.115924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.115924 (E_RNA) where: Base-Base interactions energy: -37.655 where: short stacking energy: -17.514 Base-Backbone interact. energy: -0.320 local terms energy: -29.140902 where: bonds (distance) C4'-P energy: -8.732 bonds (distance) P-C4' energy: -9.510 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -1.895 tors. eta vs tors. theta energy: -1.914 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: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -117.539126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.539126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.539126 (E_RNA) where: Base-Base interactions energy: -76.137 where: short stacking energy: -33.661 Base-Backbone interact. energy: -0.513 local terms energy: -40.888753 where: bonds (distance) C4'-P energy: -6.824 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -9.564 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -9.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -111.427768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.427768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.427768 (E_RNA) where: Base-Base interactions energy: -73.260 where: short stacking energy: -31.183 Base-Backbone interact. energy: -0.101 local terms energy: -38.066365 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -9.721 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -8.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -114.614686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.614686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.614686 (E_RNA) where: Base-Base interactions energy: -69.253 where: short stacking energy: -32.069 Base-Backbone interact. energy: -0.842 local terms energy: -44.520547 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -7.570 tors. eta vs tors. theta energy: -9.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -108.414776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.414776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.414776 (E_RNA) where: Base-Base interactions energy: -72.064 where: short stacking energy: -24.076 Base-Backbone interact. energy: -0.206 local terms energy: -36.144187 where: bonds (distance) C4'-P energy: -8.268 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -9.914 flat angles P-C4'-P energy: -0.915 tors. eta vs tors. theta energy: -7.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -114.906652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.906652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.906652 (E_RNA) where: Base-Base interactions energy: -78.119 where: short stacking energy: -34.292 Base-Backbone interact. energy: -0.001 local terms energy: -36.787411 where: bonds (distance) C4'-P energy: -7.109 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -6.563 tors. eta vs tors. theta energy: -7.748 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: 329 Temperature: 1.150000 Total energy: -98.036040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.036040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.036040 (E_RNA) where: Base-Base interactions energy: -60.551 where: short stacking energy: -23.167 Base-Backbone interact. energy: -1.308 local terms energy: -36.177026 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -50.056384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.056384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.056384 (E_RNA) where: Base-Base interactions energy: -18.567 where: short stacking energy: -13.833 Base-Backbone interact. energy: -0.653 local terms energy: -30.836790 where: bonds (distance) C4'-P energy: -8.293 bonds (distance) P-C4' energy: -10.091 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -51.215422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.215422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.215422 (E_RNA) where: Base-Base interactions energy: -14.308 where: short stacking energy: -9.207 Base-Backbone interact. energy: -0.210 local terms energy: -36.697335 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -0.064 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: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -52.346832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.346832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.346832 (E_RNA) where: Base-Base interactions energy: -19.334 where: short stacking energy: -19.349 Base-Backbone interact. energy: -0.081 local terms energy: -32.931105 where: bonds (distance) C4'-P energy: -10.284 bonds (distance) P-C4' energy: -10.578 flat angles C4'-P-C4' energy: 0.312 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -4.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -57.859590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.859590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.859590 (E_RNA) where: Base-Base interactions energy: -31.634 where: short stacking energy: -12.626 Base-Backbone interact. energy: -0.610 local terms energy: -25.615088 where: bonds (distance) C4'-P energy: -8.100 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -117.576860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.576860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.576860 (E_RNA) where: Base-Base interactions energy: -80.123 where: short stacking energy: -32.771 Base-Backbone interact. energy: -0.035 local terms energy: -37.418738 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -9.024 flat angles P-C4'-P energy: 0.320 tors. eta vs tors. theta energy: -10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -113.355813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.355813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.355813 (E_RNA) where: Base-Base interactions energy: -81.530 where: short stacking energy: -32.664 Base-Backbone interact. energy: -0.026 local terms energy: -31.800150 where: bonds (distance) C4'-P energy: -8.191 bonds (distance) P-C4' energy: -4.584 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -113.702966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.702966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.702966 (E_RNA) where: Base-Base interactions energy: -78.080 where: short stacking energy: -29.466 Base-Backbone interact. energy: -0.665 local terms energy: -34.958072 where: bonds (distance) C4'-P energy: -8.223 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -105.391421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.391421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.391421 (E_RNA) where: Base-Base interactions energy: -65.632 where: short stacking energy: -25.405 Base-Backbone interact. energy: -0.045 local terms energy: -39.714964 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -10.527 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -104.865395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.865395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.865395 (E_RNA) where: Base-Base interactions energy: -67.851 where: short stacking energy: -29.272 Base-Backbone interact. energy: -0.275 local terms energy: -36.739194 where: bonds (distance) C4'-P energy: -5.817 bonds (distance) P-C4' energy: -10.019 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -93.401366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.401366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.401366 (E_RNA) where: Base-Base interactions energy: -62.513 where: short stacking energy: -20.673 Base-Backbone interact. energy: -0.367 local terms energy: -30.521566 where: bonds (distance) C4'-P energy: -6.745 bonds (distance) P-C4' energy: -9.436 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -53.546700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.546700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.546700 (E_RNA) where: Base-Base interactions energy: -23.715 where: short stacking energy: -15.082 Base-Backbone interact. energy: -0.207 local terms energy: -29.625634 where: bonds (distance) C4'-P energy: -6.882 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -8.892 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: 0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -54.478777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.478777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.478777 (E_RNA) where: Base-Base interactions energy: -21.446 where: short stacking energy: -21.446 Base-Backbone interact. energy: -0.062 local terms energy: -32.970761 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -9.429 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -6.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -53.203665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.203665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.203665 (E_RNA) where: Base-Base interactions energy: -19.495 where: short stacking energy: -18.448 Base-Backbone interact. energy: -0.045 local terms energy: -33.663797 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -9.742 flat angles C4'-P-C4' energy: -10.192 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -47.154594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.154594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.154594 (E_RNA) where: Base-Base interactions energy: -19.256 where: short stacking energy: -19.256 Base-Backbone interact. energy: -0.023 local terms energy: -27.876017 where: bonds (distance) C4'-P energy: -8.969 bonds (distance) P-C4' energy: -7.818 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -117.538777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.538777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.538777 (E_RNA) where: Base-Base interactions energy: -74.173 where: short stacking energy: -31.387 Base-Backbone interact. energy: -0.009 local terms energy: -43.356842 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -9.679 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -7.913 tors. eta vs tors. theta energy: -8.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -116.914328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.914328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.914328 (E_RNA) where: Base-Base interactions energy: -76.976 where: short stacking energy: -33.075 Base-Backbone interact. energy: -0.071 local terms energy: -39.867032 where: bonds (distance) C4'-P energy: -8.429 bonds (distance) P-C4' energy: -8.326 flat angles C4'-P-C4' energy: -8.772 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -10.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -103.977586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.977586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.977586 (E_RNA) where: Base-Base interactions energy: -61.526 where: short stacking energy: -23.197 Base-Backbone interact. energy: -0.161 local terms energy: -42.290608 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -10.413 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -115.988873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.988873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.988873 (E_RNA) where: Base-Base interactions energy: -72.189 where: short stacking energy: -34.428 Base-Backbone interact. energy: -0.001 local terms energy: -43.798363 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -11.210 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -108.076268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.076268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.076268 (E_RNA) where: Base-Base interactions energy: -68.224 where: short stacking energy: -28.571 Base-Backbone interact. energy: 0.291 local terms energy: -40.142728 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -9.696 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -8.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -56.902593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.902593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.902593 (E_RNA) where: Base-Base interactions energy: -19.323 where: short stacking energy: -17.031 Base-Backbone interact. energy: -0.003 local terms energy: -37.576620 where: bonds (distance) C4'-P energy: -7.081 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -7.266 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: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -65.442647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.442647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.442647 (E_RNA) where: Base-Base interactions energy: -32.335 where: short stacking energy: -19.850 Base-Backbone interact. energy: 0.733 local terms energy: -33.840831 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -5.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -59.115955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.115955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.115955 (E_RNA) where: Base-Base interactions energy: -20.717 where: short stacking energy: -20.676 Base-Backbone interact. energy: -0.011 local terms energy: -38.387814 where: bonds (distance) C4'-P energy: -5.562 bonds (distance) P-C4' energy: -9.703 flat angles C4'-P-C4' energy: -10.034 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -7.727 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: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -51.616487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.616487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.616487 (E_RNA) where: Base-Base interactions energy: -14.369 where: short stacking energy: -14.369 Base-Backbone interact. energy: -0.145 local terms energy: -37.102391 where: bonds (distance) C4'-P energy: -8.641 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -48.337107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.337107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.337107 (E_RNA) where: Base-Base interactions energy: -13.672 where: short stacking energy: -13.672 Base-Backbone interact. energy: -0.051 local terms energy: -34.614425 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -6.723 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: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -115.379472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.379472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.379472 (E_RNA) where: Base-Base interactions energy: -75.376 where: short stacking energy: -32.311 Base-Backbone interact. energy: -0.064 local terms energy: -39.939562 where: bonds (distance) C4'-P energy: -8.434 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -7.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -118.411649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.411649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.411649 (E_RNA) where: Base-Base interactions energy: -77.652 where: short stacking energy: -32.698 Base-Backbone interact. energy: -0.212 local terms energy: -40.547546 where: bonds (distance) C4'-P energy: -8.702 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -9.846 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -8.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -112.781862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.781862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.781862 (E_RNA) where: Base-Base interactions energy: -75.535 where: short stacking energy: -31.882 Base-Backbone interact. energy: 0.909 local terms energy: -38.155549 where: bonds (distance) C4'-P energy: -8.882 bonds (distance) P-C4' energy: -9.215 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -9.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -106.379744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.379744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.379744 (E_RNA) where: Base-Base interactions energy: -71.354 where: short stacking energy: -23.591 Base-Backbone interact. energy: -0.097 local terms energy: -34.928043 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -9.453 flat angles C4'-P-C4' energy: -10.154 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -108.236274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.236274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.236274 (E_RNA) where: Base-Base interactions energy: -70.963 where: short stacking energy: -31.209 Base-Backbone interact. energy: -0.008 local terms energy: -37.264585 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -7.475 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -78.156219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.156219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.156219 (E_RNA) where: Base-Base interactions energy: -47.316 where: short stacking energy: -22.051 Base-Backbone interact. energy: -0.072 local terms energy: -30.767459 where: bonds (distance) C4'-P energy: -7.267 bonds (distance) P-C4' energy: -6.378 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -54.749569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.749569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.749569 (E_RNA) where: Base-Base interactions energy: -22.552 where: short stacking energy: -15.810 Base-Backbone interact. energy: -0.042 local terms energy: -32.155616 where: bonds (distance) C4'-P energy: -6.650 bonds (distance) P-C4' energy: -9.535 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -56.671995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.671995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.671995 (E_RNA) where: Base-Base interactions energy: -17.926 where: short stacking energy: -17.926 Base-Backbone interact. energy: -0.065 local terms energy: -38.680958 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -8.963 flat angles C4'-P-C4' energy: -8.948 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -5.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -56.523810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.523810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.523810 (E_RNA) where: Base-Base interactions energy: -31.973 where: short stacking energy: -12.208 Base-Backbone interact. energy: -0.028 local terms energy: -24.522650 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -9.050 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: 5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -51.167904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.167904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.167904 (E_RNA) where: Base-Base interactions energy: -19.081 where: short stacking energy: -14.608 Base-Backbone interact. energy: -0.127 local terms energy: -31.959571 where: bonds (distance) C4'-P energy: -8.642 bonds (distance) P-C4' energy: -8.298 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -3.053 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: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -113.744400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.744400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.744400 (E_RNA) where: Base-Base interactions energy: -72.584 where: short stacking energy: -31.630 Base-Backbone interact. energy: -1.258 local terms energy: -39.902123 where: bonds (distance) C4'-P energy: -8.260 bonds (distance) P-C4' energy: -7.826 flat angles C4'-P-C4' energy: -9.877 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -6.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -123.948639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.948639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.948639 (E_RNA) where: Base-Base interactions energy: -75.182 where: short stacking energy: -35.517 Base-Backbone interact. energy: -0.006 local terms energy: -48.760881 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -9.675 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -10.102 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: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -111.224540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.224540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.224540 (E_RNA) where: Base-Base interactions energy: -74.832 where: short stacking energy: -26.921 Base-Backbone interact. energy: -0.004 local terms energy: -36.389057 where: bonds (distance) C4'-P energy: -8.583 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -115.349239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.349239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.349239 (E_RNA) where: Base-Base interactions energy: -70.221 where: short stacking energy: -35.427 Base-Backbone interact. energy: -0.001 local terms energy: -45.127061 where: bonds (distance) C4'-P energy: -8.960 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -7.596 flat angles P-C4'-P energy: -7.264 tors. eta vs tors. theta energy: -10.173 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: 5, replica: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -107.220360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.220360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.220360 (E_RNA) where: Base-Base interactions energy: -68.027 where: short stacking energy: -28.177 Base-Backbone interact. energy: -0.135 local terms energy: -39.057876 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -63.771496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.771496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.771496 (E_RNA) where: Base-Base interactions energy: -29.638 where: short stacking energy: -18.112 Base-Backbone interact. energy: 0.185 local terms energy: -34.318392 where: bonds (distance) C4'-P energy: -7.991 bonds (distance) P-C4' energy: -8.217 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -4.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -54.852627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.852627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.852627 (E_RNA) where: Base-Base interactions energy: -18.921 where: short stacking energy: -15.541 Base-Backbone interact. energy: -0.767 local terms energy: -35.164025 where: bonds (distance) C4'-P energy: -9.155 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.652 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -3.074 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: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -58.626668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.626668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.626668 (E_RNA) where: Base-Base interactions energy: -24.366 where: short stacking energy: -22.475 Base-Backbone interact. energy: -0.105 local terms energy: -34.155729 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -6.794 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -7.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -55.906570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.906570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.906570 (E_RNA) where: Base-Base interactions energy: -24.610 where: short stacking energy: -24.610 Base-Backbone interact. energy: -0.001 local terms energy: -31.296131 where: bonds (distance) C4'-P energy: -6.500 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -3.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -48.160043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.160043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.160043 (E_RNA) where: Base-Base interactions energy: -19.958 where: short stacking energy: -19.958 Base-Backbone interact. energy: -0.027 local terms energy: -28.174616 where: bonds (distance) C4'-P energy: -8.004 bonds (distance) P-C4' energy: -10.634 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -122.796085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.796085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.796085 (E_RNA) where: Base-Base interactions energy: -74.958 where: short stacking energy: -35.059 Base-Backbone interact. energy: -0.977 local terms energy: -46.860442 where: bonds (distance) C4'-P energy: -8.136 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -9.310 flat angles P-C4'-P energy: -7.714 tors. eta vs tors. theta energy: -10.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -115.095911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.095911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.095911 (E_RNA) where: Base-Base interactions energy: -79.356 where: short stacking energy: -32.642 Base-Backbone interact. energy: -0.006 local terms energy: -35.734137 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -9.760 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -114.086398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.086398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.086398 (E_RNA) where: Base-Base interactions energy: -68.901 where: short stacking energy: -32.320 Base-Backbone interact. energy: -0.044 local terms energy: -45.141578 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -9.009 flat angles P-C4'-P energy: -6.601 tors. eta vs tors. theta energy: -9.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -110.082385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.082385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.082385 (E_RNA) where: Base-Base interactions energy: -67.990 where: short stacking energy: -28.294 Base-Backbone interact. energy: -0.606 local terms energy: -41.486524 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -7.520 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -110.681433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.681433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.681433 (E_RNA) where: Base-Base interactions energy: -72.358 where: short stacking energy: -27.272 Base-Backbone interact. energy: -0.014 local terms energy: -38.309241 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -8.866 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -63.243625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.243625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.243625 (E_RNA) where: Base-Base interactions energy: -27.805 where: short stacking energy: -16.576 Base-Backbone interact. energy: -0.342 local terms energy: -35.096455 where: bonds (distance) C4'-P energy: -9.051 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -7.000 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -57.059530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.059530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.059530 (E_RNA) where: Base-Base interactions energy: -28.876 where: short stacking energy: -22.189 Base-Backbone interact. energy: -0.014 local terms energy: -28.169119 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: 2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -62.113561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.113561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.113561 (E_RNA) where: Base-Base interactions energy: -27.813 where: short stacking energy: -27.813 Base-Backbone interact. energy: -0.084 local terms energy: -34.216171 where: bonds (distance) C4'-P energy: -8.393 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -59.585948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.585948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.585948 (E_RNA) where: Base-Base interactions energy: -23.650 where: short stacking energy: -23.650 Base-Backbone interact. energy: -0.004 local terms energy: -35.931286 where: bonds (distance) C4'-P energy: -5.494 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -9.476 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -8.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -47.460186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.460186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.460186 (E_RNA) where: Base-Base interactions energy: -20.516 where: short stacking energy: -18.668 Base-Backbone interact. energy: -0.090 local terms energy: -26.853807 where: bonds (distance) C4'-P energy: -5.825 bonds (distance) P-C4' energy: -6.703 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -117.742488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.742488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.742488 (E_RNA) where: Base-Base interactions energy: -75.046 where: short stacking energy: -32.133 Base-Backbone interact. energy: -0.000 local terms energy: -42.696193 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -7.726 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: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -117.624808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.624808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.624808 (E_RNA) where: Base-Base interactions energy: -75.826 where: short stacking energy: -30.709 Base-Backbone interact. energy: -0.698 local terms energy: -41.100625 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -9.530 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -117.970485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.970485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.970485 (E_RNA) where: Base-Base interactions energy: -78.355 where: short stacking energy: -31.085 Base-Backbone interact. energy: -0.001 local terms energy: -39.615016 where: bonds (distance) C4'-P energy: -8.840 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -9.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -115.442538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.442538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.442538 (E_RNA) where: Base-Base interactions energy: -76.475 where: short stacking energy: -35.384 Base-Backbone interact. energy: -0.001 local terms energy: -38.966314 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -9.167 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -7.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -105.282725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.282725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.282725 (E_RNA) where: Base-Base interactions energy: -67.561 where: short stacking energy: -30.034 Base-Backbone interact. energy: -0.444 local terms energy: -37.277692 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -10.441 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: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -56.655931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.655931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.655931 (E_RNA) where: Base-Base interactions energy: -20.452 where: short stacking energy: -20.452 Base-Backbone interact. energy: -0.002 local terms energy: -36.202307 where: bonds (distance) C4'-P energy: -8.338 bonds (distance) P-C4' energy: -9.603 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -7.333 tors. eta vs tors. theta energy: -4.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -56.791879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.791879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.791879 (E_RNA) where: Base-Base interactions energy: -25.225 where: short stacking energy: -25.225 Base-Backbone interact. energy: -0.794 local terms energy: -30.773616 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -8.959 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: 0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -55.959403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.959403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.959403 (E_RNA) where: Base-Base interactions energy: -19.526 where: short stacking energy: -17.283 Base-Backbone interact. energy: -0.090 local terms energy: -36.343439 where: bonds (distance) C4'-P energy: -9.547 bonds (distance) P-C4' energy: -10.398 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -6.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -50.093159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.093159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.093159 (E_RNA) where: Base-Base interactions energy: -15.223 where: short stacking energy: -13.179 Base-Backbone interact. energy: -0.007 local terms energy: -34.863462 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -9.152 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -54.435409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.435409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.435409 (E_RNA) where: Base-Base interactions energy: -17.705 where: short stacking energy: -17.705 Base-Backbone interact. energy: -0.104 local terms energy: -36.626278 where: bonds (distance) C4'-P energy: -8.811 bonds (distance) P-C4' energy: -8.460 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -7.501 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -117.937874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.937874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.937874 (E_RNA) where: Base-Base interactions energy: -79.390 where: short stacking energy: -35.108 Base-Backbone interact. energy: -0.143 local terms energy: -38.405308 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -6.337 flat angles C4'-P-C4' energy: -9.891 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -5.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -117.014120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.014120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.014120 (E_RNA) where: Base-Base interactions energy: -77.630 where: short stacking energy: -31.340 Base-Backbone interact. energy: -0.595 local terms energy: -38.789316 where: bonds (distance) C4'-P energy: -7.855 bonds (distance) P-C4' energy: -7.184 flat angles C4'-P-C4' energy: -10.583 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -124.008662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.008662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.008662 (E_RNA) where: Base-Base interactions energy: -81.247 where: short stacking energy: -30.092 Base-Backbone interact. energy: -0.003 local terms energy: -42.758352 where: bonds (distance) C4'-P energy: -8.177 bonds (distance) P-C4' energy: -9.675 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -11.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -112.641624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.641624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.641624 (E_RNA) where: Base-Base interactions energy: -73.280 where: short stacking energy: -26.480 Base-Backbone interact. energy: 0.337 local terms energy: -39.698699 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -2.412 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -105.895991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.895991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.895991 (E_RNA) where: Base-Base interactions energy: -66.199 where: short stacking energy: -27.262 Base-Backbone interact. energy: -0.611 local terms energy: -39.086240 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -8.567 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -6.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -54.096660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.096660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.096660 (E_RNA) where: Base-Base interactions energy: -15.788 where: short stacking energy: -15.788 Base-Backbone interact. energy: -0.106 local terms energy: -38.202434 where: bonds (distance) C4'-P energy: -9.590 bonds (distance) P-C4' energy: -10.634 flat angles C4'-P-C4' energy: -9.831 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -62.666510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.666510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.666510 (E_RNA) where: Base-Base interactions energy: -25.949 where: short stacking energy: -21.266 Base-Backbone interact. energy: -0.117 local terms energy: -36.600463 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -9.192 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -3.483 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: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -52.063030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.063030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.063030 (E_RNA) where: Base-Base interactions energy: -20.885 where: short stacking energy: -20.885 Base-Backbone interact. energy: -0.004 local terms energy: -31.173624 where: bonds (distance) C4'-P energy: -6.446 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -10.141 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -50.957906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.957906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.957906 (E_RNA) where: Base-Base interactions energy: -17.849 where: short stacking energy: -17.034 Base-Backbone interact. energy: -0.068 local terms energy: -33.041094 where: bonds (distance) C4'-P energy: -9.242 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -5.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -46.500954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.500954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.500954 (E_RNA) where: Base-Base interactions energy: -19.300 where: short stacking energy: -19.033 Base-Backbone interact. energy: -0.053 local terms energy: -27.147664 where: bonds (distance) C4'-P energy: -3.276 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -7.554 tors. eta vs tors. theta energy: -0.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -118.200705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.200705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.200705 (E_RNA) where: Base-Base interactions energy: -72.995 where: short stacking energy: -33.846 Base-Backbone interact. energy: -0.159 local terms energy: -45.046857 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -10.327 flat angles C4'-P-C4' energy: -9.024 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -9.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -118.033472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.033472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.033472 (E_RNA) where: Base-Base interactions energy: -79.204 where: short stacking energy: -32.126 Base-Backbone interact. energy: -0.002 local terms energy: -38.827781 where: bonds (distance) C4'-P energy: -8.600 bonds (distance) P-C4' energy: -9.252 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -8.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -108.999073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.999073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.999073 (E_RNA) where: Base-Base interactions energy: -67.137 where: short stacking energy: -27.791 Base-Backbone interact. energy: -0.000 local terms energy: -41.861749 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -9.615 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -108.086927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.086927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.086927 (E_RNA) where: Base-Base interactions energy: -68.840 where: short stacking energy: -23.035 Base-Backbone interact. energy: -0.072 local terms energy: -39.175302 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -9.904 flat angles C4'-P-C4' energy: -9.747 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -115.066237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.066237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.066237 (E_RNA) where: Base-Base interactions energy: -76.373 where: short stacking energy: -26.187 Base-Backbone interact. energy: -0.135 local terms energy: -38.559158 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -5.304 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: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -56.638592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.638592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.638592 (E_RNA) where: Base-Base interactions energy: -27.847 where: short stacking energy: -23.751 Base-Backbone interact. energy: -0.077 local terms energy: -28.714186 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -8.562 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -53.799973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.799973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.799973 (E_RNA) where: Base-Base interactions energy: -18.234 where: short stacking energy: -17.282 Base-Backbone interact. energy: -0.398 local terms energy: -35.167665 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -10.138 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -51.576116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.576116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.576116 (E_RNA) where: Base-Base interactions energy: -18.283 where: short stacking energy: -18.283 Base-Backbone interact. energy: -0.170 local terms energy: -33.123439 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -49.124671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.124671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.124671 (E_RNA) where: Base-Base interactions energy: -22.924 where: short stacking energy: -13.152 Base-Backbone interact. energy: 0.350 local terms energy: -26.550456 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -9.536 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: 3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -51.044689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.044689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.044689 (E_RNA) where: Base-Base interactions energy: -15.325 where: short stacking energy: -5.462 Base-Backbone interact. energy: -0.004 local terms energy: -35.715748 where: bonds (distance) C4'-P energy: -9.515 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -10.702 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -120.142910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.142910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.142910 (E_RNA) where: Base-Base interactions energy: -78.376 where: short stacking energy: -39.692 Base-Backbone interact. energy: -0.001 local terms energy: -41.766166 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -10.132 flat angles C4'-P-C4' energy: -9.417 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -7.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -117.124032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.124032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.124032 (E_RNA) where: Base-Base interactions energy: -86.264 where: short stacking energy: -32.412 Base-Backbone interact. energy: -0.018 local terms energy: -30.842261 where: bonds (distance) C4'-P energy: -8.480 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -111.788632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.788632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.788632 (E_RNA) where: Base-Base interactions energy: -66.606 where: short stacking energy: -27.558 Base-Backbone interact. energy: -0.094 local terms energy: -45.088480 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -9.854 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -117.983534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.983534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.983534 (E_RNA) where: Base-Base interactions energy: -79.092 where: short stacking energy: -33.327 Base-Backbone interact. energy: -0.886 local terms energy: -38.005571 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -7.215 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -9.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -111.931183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.931183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.931183 (E_RNA) where: Base-Base interactions energy: -72.249 where: short stacking energy: -33.449 Base-Backbone interact. energy: -0.463 local terms energy: -39.219451 where: bonds (distance) C4'-P energy: -8.738 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -6.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -67.086847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.086847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.086847 (E_RNA) where: Base-Base interactions energy: -26.348 where: short stacking energy: -25.187 Base-Backbone interact. energy: -0.005 local terms energy: -40.734141 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -9.097 flat angles C4'-P-C4' energy: -9.171 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -8.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -56.075369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.075369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.075369 (E_RNA) where: Base-Base interactions energy: -22.639 where: short stacking energy: -23.739 Base-Backbone interact. energy: 0.670 local terms energy: -34.106579 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -8.101 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -54.453885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.453885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.453885 (E_RNA) where: Base-Base interactions energy: -18.056 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.023 local terms energy: -36.375069 where: bonds (distance) C4'-P energy: -8.666 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -55.500568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.500568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.500568 (E_RNA) where: Base-Base interactions energy: -28.515 where: short stacking energy: -20.630 Base-Backbone interact. energy: -0.002 local terms energy: -26.983723 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -11.374 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -50.195145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.195145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.195145 (E_RNA) where: Base-Base interactions energy: -15.439 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.003 local terms energy: -34.753566 where: bonds (distance) C4'-P energy: -8.873 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -8.899 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -0.627 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: 339 Temperature: 0.900000 Total energy: -113.114855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.114855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.114855 (E_RNA) where: Base-Base interactions energy: -67.722 where: short stacking energy: -29.517 Base-Backbone interact. energy: -0.002 local terms energy: -45.390773 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -9.009 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -7.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -113.537469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.537469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.537469 (E_RNA) where: Base-Base interactions energy: -69.533 where: short stacking energy: -33.776 Base-Backbone interact. energy: -0.027 local terms energy: -43.977213 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -9.495 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -9.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -122.356516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.356516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.356516 (E_RNA) where: Base-Base interactions energy: -84.756 where: short stacking energy: -35.251 Base-Backbone interact. energy: -0.001 local terms energy: -37.600052 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -9.079 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -0.763 tors. eta vs tors. theta energy: -9.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -110.803406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.803406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.803406 (E_RNA) where: Base-Base interactions energy: -75.678 where: short stacking energy: -23.358 Base-Backbone interact. energy: -0.002 local terms energy: -35.123773 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -9.662 flat angles C4'-P-C4' energy: -9.086 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -5.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -98.987850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.987850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.987850 (E_RNA) where: Base-Base interactions energy: -63.366 where: short stacking energy: -23.890 Base-Backbone interact. energy: -0.090 local terms energy: -35.531046 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -6.138 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: 6, replica: 10 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -64.500287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.500287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.500287 (E_RNA) where: Base-Base interactions energy: -27.622 where: short stacking energy: -27.622 Base-Backbone interact. energy: -0.000 local terms energy: -36.877896 where: bonds (distance) C4'-P energy: -8.019 bonds (distance) P-C4' energy: -9.432 flat angles C4'-P-C4' energy: -9.275 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -59.107239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.107239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.107239 (E_RNA) where: Base-Base interactions energy: -23.738 where: short stacking energy: -17.848 Base-Backbone interact. energy: 0.519 local terms energy: -35.887499 where: bonds (distance) C4'-P energy: -4.965 bonds (distance) P-C4' energy: -10.345 flat angles C4'-P-C4' energy: -8.919 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -61.881761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.881761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.881761 (E_RNA) where: Base-Base interactions energy: -26.269 where: short stacking energy: -26.269 Base-Backbone interact. energy: -0.105 local terms energy: -35.507449 where: bonds (distance) C4'-P energy: -8.847 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -52.286058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.286058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.286058 (E_RNA) where: Base-Base interactions energy: -15.952 where: short stacking energy: -15.952 Base-Backbone interact. energy: -0.261 local terms energy: -36.072448 where: bonds (distance) C4'-P energy: -8.910 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -8.680 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -49.828356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.828356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.828356 (E_RNA) where: Base-Base interactions energy: -21.462 where: short stacking energy: -10.546 Base-Backbone interact. energy: -0.056 local terms energy: -28.310027 where: bonds (distance) C4'-P energy: -4.469 bonds (distance) P-C4' energy: -9.619 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -118.459732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.459732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.459732 (E_RNA) where: Base-Base interactions energy: -74.938 where: short stacking energy: -30.220 Base-Backbone interact. energy: 0.165 local terms energy: -43.686592 where: bonds (distance) C4'-P energy: -11.096 bonds (distance) P-C4' energy: -10.131 flat angles C4'-P-C4' energy: -8.772 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -8.022 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: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -112.784382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.784382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.784382 (E_RNA) where: Base-Base interactions energy: -75.648 where: short stacking energy: -31.720 Base-Backbone interact. energy: -0.032 local terms energy: -37.104398 where: bonds (distance) C4'-P energy: -9.092 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -7.980 flat angles P-C4'-P energy: -0.879 tors. eta vs tors. theta energy: -9.414 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: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -111.392819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.392819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.392819 (E_RNA) where: Base-Base interactions energy: -81.832 where: short stacking energy: -26.038 Base-Backbone interact. energy: 0.529 local terms energy: -30.089881 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -7.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -112.076421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.076421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.076421 (E_RNA) where: Base-Base interactions energy: -80.880 where: short stacking energy: -29.953 Base-Backbone interact. energy: -0.233 local terms energy: -30.963694 where: bonds (distance) C4'-P energy: -8.738 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: 1.994 tors. eta vs tors. theta energy: -9.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -103.388749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.388749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.388749 (E_RNA) where: Base-Base interactions energy: -66.497 where: short stacking energy: -28.869 Base-Backbone interact. energy: -1.054 local terms energy: -35.837768 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -8.275 flat angles C4'-P-C4' energy: -8.610 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -9.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -75.471899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.471899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.471899 (E_RNA) where: Base-Base interactions energy: -37.844 where: short stacking energy: -28.258 Base-Backbone interact. energy: -0.008 local terms energy: -37.619695 where: bonds (distance) C4'-P energy: -6.687 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -9.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -67.797516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.797516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.797516 (E_RNA) where: Base-Base interactions energy: -32.715 where: short stacking energy: -30.098 Base-Backbone interact. energy: -0.020 local terms energy: -35.062504 where: bonds (distance) C4'-P energy: -1.430 bonds (distance) P-C4' energy: -9.153 flat angles C4'-P-C4' energy: -9.019 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -8.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -56.430075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.430075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.430075 (E_RNA) where: Base-Base interactions energy: -24.863 where: short stacking energy: -20.002 Base-Backbone interact. energy: -0.002 local terms energy: -31.564674 where: bonds (distance) C4'-P energy: -5.532 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -48.844031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.844031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.844031 (E_RNA) where: Base-Base interactions energy: -15.044 where: short stacking energy: -15.044 Base-Backbone interact. energy: -0.014 local terms energy: -33.785129 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -48.467079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.467079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.467079 (E_RNA) where: Base-Base interactions energy: -14.969 where: short stacking energy: -13.344 Base-Backbone interact. energy: -0.041 local terms energy: -33.456919 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -117.373986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.373986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.373986 (E_RNA) where: Base-Base interactions energy: -76.300 where: short stacking energy: -32.302 Base-Backbone interact. energy: -0.079 local terms energy: -40.995519 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -10.376 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -11.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -111.778288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.778288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.778288 (E_RNA) where: Base-Base interactions energy: -72.030 where: short stacking energy: -32.038 Base-Backbone interact. energy: -0.062 local terms energy: -39.686454 where: bonds (distance) C4'-P energy: -7.217 bonds (distance) P-C4' energy: -6.972 flat angles C4'-P-C4' energy: -9.940 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -116.150312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.150312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.150312 (E_RNA) where: Base-Base interactions energy: -73.619 where: short stacking energy: -25.342 Base-Backbone interact. energy: 1.905 local terms energy: -44.435973 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -11.073 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: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -107.510112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.510112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.510112 (E_RNA) where: Base-Base interactions energy: -71.664 where: short stacking energy: -28.935 Base-Backbone interact. energy: -0.002 local terms energy: -35.843998 where: bonds (distance) C4'-P energy: -8.537 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -6.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -108.760654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.760654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.760654 (E_RNA) where: Base-Base interactions energy: -69.213 where: short stacking energy: -29.490 Base-Backbone interact. energy: -0.353 local terms energy: -39.194305 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -5.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -57.253818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.253818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.253818 (E_RNA) where: Base-Base interactions energy: -27.498 where: short stacking energy: -12.081 Base-Backbone interact. energy: -0.240 local terms energy: -29.515389 where: bonds (distance) C4'-P energy: -8.988 bonds (distance) P-C4' energy: -7.225 flat angles C4'-P-C4' energy: -8.767 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -54.673181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.673181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.673181 (E_RNA) where: Base-Base interactions energy: -26.928 where: short stacking energy: -8.486 Base-Backbone interact. energy: -0.085 local terms energy: -27.660311 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: 1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -72.535959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.535959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.535959 (E_RNA) where: Base-Base interactions energy: -42.131 where: short stacking energy: -15.229 Base-Backbone interact. energy: -0.169 local terms energy: -30.236746 where: bonds (distance) C4'-P energy: -8.926 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -2.130 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -51.878114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.878114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.878114 (E_RNA) where: Base-Base interactions energy: -15.828 where: short stacking energy: -15.828 Base-Backbone interact. energy: -0.008 local terms energy: -36.042231 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -8.452 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -51.238903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.238903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.238903 (E_RNA) where: Base-Base interactions energy: -21.565 where: short stacking energy: -13.147 Base-Backbone interact. energy: -0.046 local terms energy: -29.628838 where: bonds (distance) C4'-P energy: -8.007 bonds (distance) P-C4' energy: -9.833 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -0.318 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: 1, replica: 5 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -117.955851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.955851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.955851 (E_RNA) where: Base-Base interactions energy: -73.749 where: short stacking energy: -32.061 Base-Backbone interact. energy: -0.032 local terms energy: -44.174956 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -10.073 flat angles C4'-P-C4' energy: -8.939 flat angles P-C4'-P energy: -5.955 tors. eta vs tors. theta energy: -10.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -116.671560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.671560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.671560 (E_RNA) where: Base-Base interactions energy: -74.876 where: short stacking energy: -31.843 Base-Backbone interact. energy: -0.001 local terms energy: -41.794375 where: bonds (distance) C4'-P energy: -7.321 bonds (distance) P-C4' energy: -10.376 flat angles C4'-P-C4' energy: -10.160 flat angles P-C4'-P energy: -7.518 tors. eta vs tors. theta energy: -6.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -117.944796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.944796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.944796 (E_RNA) where: Base-Base interactions energy: -75.585 where: short stacking energy: -29.537 Base-Backbone interact. energy: -0.610 local terms energy: -41.750129 where: bonds (distance) C4'-P energy: -7.789 bonds (distance) P-C4' energy: -10.920 flat angles C4'-P-C4' energy: -8.914 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -9.553 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: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -113.062450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.062450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.062450 (E_RNA) where: Base-Base interactions energy: -73.064 where: short stacking energy: -32.913 Base-Backbone interact. energy: -0.006 local terms energy: -39.991826 where: bonds (distance) C4'-P energy: -8.359 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -103.142307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.142307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.142307 (E_RNA) where: Base-Base interactions energy: -67.100 where: short stacking energy: -27.278 Base-Backbone interact. energy: -0.407 local terms energy: -35.635698 where: bonds (distance) C4'-P energy: -4.104 bonds (distance) P-C4' energy: -9.561 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -7.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -66.974992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.974992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.974992 (E_RNA) where: Base-Base interactions energy: -29.809 where: short stacking energy: -24.182 Base-Backbone interact. energy: -0.156 local terms energy: -37.010316 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -7.391 tors. eta vs tors. theta energy: -2.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -64.478531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.478531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.478531 (E_RNA) where: Base-Base interactions energy: -29.645 where: short stacking energy: -19.075 Base-Backbone interact. energy: -0.112 local terms energy: -34.721982 where: bonds (distance) C4'-P energy: -7.987 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -56.209143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.209143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.209143 (E_RNA) where: Base-Base interactions energy: -23.757 where: short stacking energy: -12.738 Base-Backbone interact. energy: -0.138 local terms energy: -32.315091 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -50.118811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.118811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.118811 (E_RNA) where: Base-Base interactions energy: -21.803 where: short stacking energy: -17.710 Base-Backbone interact. energy: -0.254 local terms energy: -28.061530 where: bonds (distance) C4'-P energy: -5.772 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -42.829560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.829560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.829560 (E_RNA) where: Base-Base interactions energy: -21.322 where: short stacking energy: -5.329 Base-Backbone interact. energy: 2.190 local terms energy: -23.698463 where: bonds (distance) C4'-P energy: -8.559 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: 1.238 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: 5 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -114.961487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.961487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.961487 (E_RNA) where: Base-Base interactions energy: -72.321 where: short stacking energy: -33.487 Base-Backbone interact. energy: -0.032 local terms energy: -42.608575 where: bonds (distance) C4'-P energy: -9.614 bonds (distance) P-C4' energy: -8.583 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: -9.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -117.169799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.169799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.169799 (E_RNA) where: Base-Base interactions energy: -72.435 where: short stacking energy: -31.251 Base-Backbone interact. energy: -0.981 local terms energy: -43.753806 where: bonds (distance) C4'-P energy: -9.448 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: -9.516 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: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -115.979904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.979904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.979904 (E_RNA) where: Base-Base interactions energy: -79.096 where: short stacking energy: -34.153 Base-Backbone interact. energy: -0.014 local terms energy: -36.870815 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -9.284 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -1.460 tors. eta vs tors. theta energy: -8.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -112.402680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.402680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.402680 (E_RNA) where: Base-Base interactions energy: -72.224 where: short stacking energy: -34.848 Base-Backbone interact. energy: -0.005 local terms energy: -40.173668 where: bonds (distance) C4'-P energy: -6.725 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -9.873 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -10.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -105.235611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.235611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.235611 (E_RNA) where: Base-Base interactions energy: -70.837 where: short stacking energy: -28.678 Base-Backbone interact. energy: -0.027 local terms energy: -34.371049 where: bonds (distance) C4'-P energy: -8.849 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -7.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -76.301146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.301146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.301146 (E_RNA) where: Base-Base interactions energy: -43.851 where: short stacking energy: -23.339 Base-Backbone interact. energy: -0.054 local terms energy: -32.395804 where: bonds (distance) C4'-P energy: -9.324 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -9.821 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -59.675831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.675831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.675831 (E_RNA) where: Base-Base interactions energy: -27.228 where: short stacking energy: -27.228 Base-Backbone interact. energy: -0.032 local terms energy: -32.415389 where: bonds (distance) C4'-P energy: -9.502 bonds (distance) P-C4' energy: -6.449 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -4.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -60.399616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.399616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.399616 (E_RNA) where: Base-Base interactions energy: -26.135 where: short stacking energy: -26.135 Base-Backbone interact. energy: -0.000 local terms energy: -34.265059 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -9.035 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -5.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -46.762333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.762333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.762333 (E_RNA) where: Base-Base interactions energy: -17.989 where: short stacking energy: -13.686 Base-Backbone interact. energy: -0.039 local terms energy: -28.733461 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -7.329 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -56.969655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.969655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.969655 (E_RNA) where: Base-Base interactions energy: -24.644 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.095 local terms energy: -32.229785 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -7.779 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -118.494422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.494422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.494422 (E_RNA) where: Base-Base interactions energy: -73.825 where: short stacking energy: -29.854 Base-Backbone interact. energy: -0.103 local terms energy: -44.566015 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -9.218 flat angles C4'-P-C4' energy: -8.945 flat angles P-C4'-P energy: -6.992 tors. eta vs tors. theta energy: -10.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -120.158279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.158279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.158279 (E_RNA) where: Base-Base interactions energy: -74.558 where: short stacking energy: -30.623 Base-Backbone interact. energy: -0.000 local terms energy: -45.600112 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -6.372 tors. eta vs tors. theta energy: -10.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -109.489081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.489081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.489081 (E_RNA) where: Base-Base interactions energy: -64.239 where: short stacking energy: -31.180 Base-Backbone interact. energy: 0.134 local terms energy: -45.384561 where: bonds (distance) C4'-P energy: -8.562 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -7.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -111.291510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.291510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.291510 (E_RNA) where: Base-Base interactions energy: -68.644 where: short stacking energy: -31.412 Base-Backbone interact. energy: 0.539 local terms energy: -43.186033 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -9.380 flat angles C4'-P-C4' energy: -9.199 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: -8.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -104.782103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.782103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.782103 (E_RNA) where: Base-Base interactions energy: -67.504 where: short stacking energy: -29.296 Base-Backbone interact. energy: -0.099 local terms energy: -37.178384 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -7.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -103.388683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.388683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.388683 (E_RNA) where: Base-Base interactions energy: -62.490 where: short stacking energy: -26.134 Base-Backbone interact. energy: -0.001 local terms energy: -40.897907 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -7.459 tors. eta vs tors. theta energy: -7.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -58.576747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.576747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.576747 (E_RNA) where: Base-Base interactions energy: -23.927 where: short stacking energy: -23.927 Base-Backbone interact. energy: -0.003 local terms energy: -34.646741 where: bonds (distance) C4'-P energy: -8.190 bonds (distance) P-C4' energy: -9.215 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -56.911343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.911343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.911343 (E_RNA) where: Base-Base interactions energy: -21.481 where: short stacking energy: -21.481 Base-Backbone interact. energy: -0.458 local terms energy: -34.972481 where: bonds (distance) C4'-P energy: -6.662 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -9.825 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -53.415991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.415991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.415991 (E_RNA) where: Base-Base interactions energy: -14.657 where: short stacking energy: -8.557 Base-Backbone interact. energy: -0.074 local terms energy: -38.684969 where: bonds (distance) C4'-P energy: -9.820 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -7.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -46.671782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.671782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.671782 (E_RNA) where: Base-Base interactions energy: -12.733 where: short stacking energy: -12.733 Base-Backbone interact. energy: -0.002 local terms energy: -33.936961 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -9.693 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: 0.688 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: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -122.188707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.188707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.188707 (E_RNA) where: Base-Base interactions energy: -84.512 where: short stacking energy: -31.854 Base-Backbone interact. energy: -0.222 local terms energy: -37.455104 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -8.929 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -2.447 tors. eta vs tors. theta energy: -9.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -112.405596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.405596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.405596 (E_RNA) where: Base-Base interactions energy: -72.687 where: short stacking energy: -27.874 Base-Backbone interact. energy: -0.101 local terms energy: -39.617235 where: bonds (distance) C4'-P energy: -8.315 bonds (distance) P-C4' energy: -9.858 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -7.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -104.661952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.661952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.661952 (E_RNA) where: Base-Base interactions energy: -65.667 where: short stacking energy: -28.296 Base-Backbone interact. energy: -0.003 local terms energy: -38.991956 where: bonds (distance) C4'-P energy: -7.871 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -10.316 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -6.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -109.035509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.035509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.035509 (E_RNA) where: Base-Base interactions energy: -70.036 where: short stacking energy: -30.587 Base-Backbone interact. energy: -0.275 local terms energy: -38.724711 where: bonds (distance) C4'-P energy: -6.775 bonds (distance) P-C4' energy: -9.277 flat angles C4'-P-C4' energy: -9.721 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -6.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -111.322206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.322206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.322206 (E_RNA) where: Base-Base interactions energy: -71.971 where: short stacking energy: -33.521 Base-Backbone interact. energy: -0.057 local terms energy: -39.294281 where: bonds (distance) C4'-P energy: -8.653 bonds (distance) P-C4' energy: -10.619 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -6.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -113.621689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.621689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.621689 (E_RNA) where: Base-Base interactions energy: -71.957 where: short stacking energy: -28.371 Base-Backbone interact. energy: -0.001 local terms energy: -41.663433 where: bonds (distance) C4'-P energy: -8.819 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -11.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -53.997671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.997671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.997671 (E_RNA) where: Base-Base interactions energy: -19.924 where: short stacking energy: -16.659 Base-Backbone interact. energy: -0.107 local terms energy: -33.967130 where: bonds (distance) C4'-P energy: -9.291 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -86.449731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.449731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.449731 (E_RNA) where: Base-Base interactions energy: -56.352 where: short stacking energy: -22.191 Base-Backbone interact. energy: -0.044 local terms energy: -30.053952 where: bonds (distance) C4'-P energy: -4.771 bonds (distance) P-C4' energy: -7.880 flat angles C4'-P-C4' energy: -9.317 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -4.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -61.523847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.523847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.523847 (E_RNA) where: Base-Base interactions energy: -26.348 where: short stacking energy: -15.468 Base-Backbone interact. energy: -0.421 local terms energy: -34.755476 where: bonds (distance) C4'-P energy: -7.627 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -2.649 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: 345 Temperature: 1.350000 Total energy: -48.358447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.358447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.358447 (E_RNA) where: Base-Base interactions energy: -24.059 where: short stacking energy: -8.936 Base-Backbone interact. energy: -1.080 local terms energy: -23.219340 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -1.583 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: 2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -129.070165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.070165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.070165 (E_RNA) where: Base-Base interactions energy: -86.812 where: short stacking energy: -37.902 Base-Backbone interact. energy: -0.002 local terms energy: -42.256493 where: bonds (distance) C4'-P energy: -10.649 bonds (distance) P-C4' energy: -9.044 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -9.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -116.752380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.752380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.752380 (E_RNA) where: Base-Base interactions energy: -77.562 where: short stacking energy: -28.745 Base-Backbone interact. energy: -0.000 local terms energy: -39.189487 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -8.877 flat angles C4'-P-C4' energy: -9.214 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -7.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -113.266962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.266962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.266962 (E_RNA) where: Base-Base interactions energy: -75.176 where: short stacking energy: -30.767 Base-Backbone interact. energy: -0.010 local terms energy: -38.080875 where: bonds (distance) C4'-P energy: -9.833 bonds (distance) P-C4' energy: -6.340 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -7.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -107.666020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.666020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.666020 (E_RNA) where: Base-Base interactions energy: -66.677 where: short stacking energy: -31.895 Base-Backbone interact. energy: -0.001 local terms energy: -40.987530 where: bonds (distance) C4'-P energy: -7.995 bonds (distance) P-C4' energy: -9.622 flat angles C4'-P-C4' energy: -9.300 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -7.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -112.894594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.894594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.894594 (E_RNA) where: Base-Base interactions energy: -73.656 where: short stacking energy: -26.384 Base-Backbone interact. energy: -0.002 local terms energy: -39.236682 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -9.150 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -108.518320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.518320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.518320 (E_RNA) where: Base-Base interactions energy: -71.279 where: short stacking energy: -31.467 Base-Backbone interact. energy: -0.026 local terms energy: -37.213828 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -10.320 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -97.738560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.738560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.738560 (E_RNA) where: Base-Base interactions energy: -64.397 where: short stacking energy: -29.212 Base-Backbone interact. energy: -0.073 local terms energy: -33.267965 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.598 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -7.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -53.933109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.933109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.933109 (E_RNA) where: Base-Base interactions energy: -18.599 where: short stacking energy: -18.599 Base-Backbone interact. energy: -0.094 local terms energy: -35.240232 where: bonds (distance) C4'-P energy: -6.293 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -7.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -51.349860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.349860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.349860 (E_RNA) where: Base-Base interactions energy: -19.557 where: short stacking energy: -19.557 Base-Backbone interact. energy: -0.070 local terms energy: -31.722703 where: bonds (distance) C4'-P energy: -8.323 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -5.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -58.923299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.923299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.923299 (E_RNA) where: Base-Base interactions energy: -22.639 where: short stacking energy: -19.249 Base-Backbone interact. energy: -0.094 local terms energy: -36.190095 where: bonds (distance) C4'-P energy: -9.030 bonds (distance) P-C4' energy: -6.700 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -7.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -126.817252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.817252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.817252 (E_RNA) where: Base-Base interactions energy: -88.207 where: short stacking energy: -36.931 Base-Backbone interact. energy: -0.038 local terms energy: -38.571859 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -120.295689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.295689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.295689 (E_RNA) where: Base-Base interactions energy: -79.475 where: short stacking energy: -35.334 Base-Backbone interact. energy: -0.000 local terms energy: -40.820434 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -10.146 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: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -105.036701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.036701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.036701 (E_RNA) where: Base-Base interactions energy: -67.917 where: short stacking energy: -27.319 Base-Backbone interact. energy: -0.090 local terms energy: -37.029156 where: bonds (distance) C4'-P energy: -8.492 bonds (distance) P-C4' energy: -10.052 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -7.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -106.065128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.065128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.065128 (E_RNA) where: Base-Base interactions energy: -66.573 where: short stacking energy: -30.915 Base-Backbone interact. energy: 2.146 local terms energy: -41.638926 where: bonds (distance) C4'-P energy: -8.654 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -9.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -107.575291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.575291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.575291 (E_RNA) where: Base-Base interactions energy: -68.593 where: short stacking energy: -31.097 Base-Backbone interact. energy: -0.355 local terms energy: -38.627547 where: bonds (distance) C4'-P energy: -7.677 bonds (distance) P-C4' energy: -8.463 flat angles C4'-P-C4' energy: -8.772 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -9.361 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: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -99.020964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.020964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.020964 (E_RNA) where: Base-Base interactions energy: -63.302 where: short stacking energy: -27.421 Base-Backbone interact. energy: -0.089 local terms energy: -35.630276 where: bonds (distance) C4'-P energy: -6.857 bonds (distance) P-C4' energy: -9.689 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -6.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -100.997364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.997364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.997364 (E_RNA) where: Base-Base interactions energy: -72.317 where: short stacking energy: -29.860 Base-Backbone interact. energy: -0.126 local terms energy: -28.554305 where: bonds (distance) C4'-P energy: -5.491 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -0.914 tors. eta vs tors. theta energy: -6.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -53.000109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.000109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.000109 (E_RNA) where: Base-Base interactions energy: -22.226 where: short stacking energy: -22.226 Base-Backbone interact. energy: -0.066 local terms energy: -30.708549 where: bonds (distance) C4'-P energy: -8.732 bonds (distance) P-C4' energy: -9.545 flat angles C4'-P-C4' energy: -7.405 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -0.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -47.949237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.949237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.949237 (E_RNA) where: Base-Base interactions energy: -19.407 where: short stacking energy: -19.407 Base-Backbone interact. energy: -0.009 local terms energy: -28.533700 where: bonds (distance) C4'-P energy: -7.895 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: 0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -57.365992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.365992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.365992 (E_RNA) where: Base-Base interactions energy: -23.034 where: short stacking energy: -23.034 Base-Backbone interact. energy: -0.096 local terms energy: -34.235841 where: bonds (distance) C4'-P energy: -7.466 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -5.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -114.996554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.996554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.996554 (E_RNA) where: Base-Base interactions energy: -74.969 where: short stacking energy: -32.075 Base-Backbone interact. energy: -0.037 local terms energy: -39.990456 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -117.346155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.346155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.346155 (E_RNA) where: Base-Base interactions energy: -83.578 where: short stacking energy: -30.913 Base-Backbone interact. energy: -0.024 local terms energy: -33.743997 where: bonds (distance) C4'-P energy: -6.538 bonds (distance) P-C4' energy: -9.873 flat angles C4'-P-C4' energy: -9.542 flat angles P-C4'-P energy: -0.830 tors. eta vs tors. theta energy: -6.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -108.344576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.344576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.344576 (E_RNA) where: Base-Base interactions energy: -73.140 where: short stacking energy: -31.853 Base-Backbone interact. energy: -0.001 local terms energy: -35.203600 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -114.216584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.216584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.216584 (E_RNA) where: Base-Base interactions energy: -70.994 where: short stacking energy: -28.608 Base-Backbone interact. energy: -0.580 local terms energy: -42.642308 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -10.197 flat angles C4'-P-C4' energy: -9.773 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -7.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -107.294258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.294258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.294258 (E_RNA) where: Base-Base interactions energy: -67.373 where: short stacking energy: -29.915 Base-Backbone interact. energy: -0.016 local terms energy: -39.905583 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -9.877 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -60.354834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.354834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.354834 (E_RNA) where: Base-Base interactions energy: -33.181 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.117 local terms energy: -27.056190 where: bonds (distance) C4'-P energy: -5.416 bonds (distance) P-C4' energy: -10.553 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: 1.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -104.911119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.911119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.911119 (E_RNA) where: Base-Base interactions energy: -71.539 where: short stacking energy: -32.430 Base-Backbone interact. energy: -0.000 local terms energy: -33.372089 where: bonds (distance) C4'-P energy: -8.054 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -7.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -58.036113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.036113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.036113 (E_RNA) where: Base-Base interactions energy: -22.504 where: short stacking energy: -8.805 Base-Backbone interact. energy: -0.709 local terms energy: -34.822878 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -7.267 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -49.668143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.668143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.668143 (E_RNA) where: Base-Base interactions energy: -13.452 where: short stacking energy: -13.452 Base-Backbone interact. energy: -0.240 local terms energy: -35.975829 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -10.409 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -48.220249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.220249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.220249 (E_RNA) where: Base-Base interactions energy: -19.008 where: short stacking energy: -19.008 Base-Backbone interact. energy: -0.003 local terms energy: -29.209645 where: bonds (distance) C4'-P energy: -3.738 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -2.853 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: 1, replica: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -114.617164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.617164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.617164 (E_RNA) where: Base-Base interactions energy: -71.312 where: short stacking energy: -31.890 Base-Backbone interact. energy: -0.006 local terms energy: -43.298829 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -9.389 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -8.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -114.794485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.794485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.794485 (E_RNA) where: Base-Base interactions energy: -74.490 where: short stacking energy: -34.889 Base-Backbone interact. energy: -0.002 local terms energy: -40.302533 where: bonds (distance) C4'-P energy: -8.438 bonds (distance) P-C4' energy: -8.727 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -7.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -106.560849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.560849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.560849 (E_RNA) where: Base-Base interactions energy: -67.464 where: short stacking energy: -27.138 Base-Backbone interact. energy: -0.006 local terms energy: -39.090777 where: bonds (distance) C4'-P energy: -9.048 bonds (distance) P-C4' energy: -9.965 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -6.677 tors. eta vs tors. theta energy: -6.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -108.710752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.710752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.710752 (E_RNA) where: Base-Base interactions energy: -67.629 where: short stacking energy: -31.235 Base-Backbone interact. energy: -0.001 local terms energy: -41.080892 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -8.701 flat angles P-C4'-P energy: -6.701 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -115.083810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.083810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.083810 (E_RNA) where: Base-Base interactions energy: -78.893 where: short stacking energy: -36.740 Base-Backbone interact. energy: -0.000 local terms energy: -36.190471 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -10.594 flat angles C4'-P-C4' energy: -7.907 flat angles P-C4'-P energy: -2.311 tors. eta vs tors. theta energy: -7.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -90.743665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.743665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.743665 (E_RNA) where: Base-Base interactions energy: -54.921 where: short stacking energy: -26.883 Base-Backbone interact. energy: -0.028 local terms energy: -35.794482 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -51.082596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.082596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.082596 (E_RNA) where: Base-Base interactions energy: -20.869 where: short stacking energy: -20.869 Base-Backbone interact. energy: -0.015 local terms energy: -30.198865 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: 0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -60.774992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.774992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.774992 (E_RNA) where: Base-Base interactions energy: -24.252 where: short stacking energy: -23.801 Base-Backbone interact. energy: 0.130 local terms energy: -36.653417 where: bonds (distance) C4'-P energy: -8.603 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -9.441 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -7.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -50.230214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.230214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.230214 (E_RNA) where: Base-Base interactions energy: -18.083 where: short stacking energy: -11.884 Base-Backbone interact. energy: -0.319 local terms energy: -31.828396 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -49.935578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.935578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.935578 (E_RNA) where: Base-Base interactions energy: -19.955 where: short stacking energy: -19.955 Base-Backbone interact. energy: 0.022 local terms energy: -30.003067 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -1.371 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -121.788339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.788339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.788339 (E_RNA) where: Base-Base interactions energy: -77.646 where: short stacking energy: -35.395 Base-Backbone interact. energy: -0.556 local terms energy: -43.586675 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -8.873 flat angles P-C4'-P energy: -7.095 tors. eta vs tors. theta energy: -8.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -119.059569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.059569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.059569 (E_RNA) where: Base-Base interactions energy: -73.230 where: short stacking energy: -32.124 Base-Backbone interact. energy: -0.050 local terms energy: -45.779400 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -9.054 flat angles C4'-P-C4' energy: -10.014 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -8.921 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: 3, replica: 2 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -117.395489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.395489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.395489 (E_RNA) where: Base-Base interactions energy: -76.569 where: short stacking energy: -36.991 Base-Backbone interact. energy: -0.005 local terms energy: -40.821799 where: bonds (distance) C4'-P energy: -6.807 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -9.911 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -9.141 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: 6 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -108.203372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.203372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.203372 (E_RNA) where: Base-Base interactions energy: -71.608 where: short stacking energy: -29.451 Base-Backbone interact. energy: -0.007 local terms energy: -36.589076 where: bonds (distance) C4'-P energy: -8.214 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -106.769160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.769160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.769160 (E_RNA) where: Base-Base interactions energy: -69.913 where: short stacking energy: -30.310 Base-Backbone interact. energy: -0.000 local terms energy: -36.856113 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -101.302529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.302529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.302529 (E_RNA) where: Base-Base interactions energy: -62.652 where: short stacking energy: -29.835 Base-Backbone interact. energy: -0.096 local terms energy: -38.553998 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -8.247 flat angles C4'-P-C4' energy: -9.959 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -10.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -53.980772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.980772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.980772 (E_RNA) where: Base-Base interactions energy: -22.188 where: short stacking energy: -20.619 Base-Backbone interact. energy: -0.066 local terms energy: -31.726812 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -52.715748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.715748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.715748 (E_RNA) where: Base-Base interactions energy: -23.092 where: short stacking energy: -21.118 Base-Backbone interact. energy: -0.006 local terms energy: -29.617777 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -50.308501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.308501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.308501 (E_RNA) where: Base-Base interactions energy: -21.719 where: short stacking energy: -21.719 Base-Backbone interact. energy: -0.011 local terms energy: -28.578164 where: bonds (distance) C4'-P energy: -7.572 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -5.018 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: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -49.213044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.213044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.213044 (E_RNA) where: Base-Base interactions energy: -25.023 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.199 local terms energy: -23.991432 where: bonds (distance) C4'-P energy: -8.278 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: 4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -118.279695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.279695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.279695 (E_RNA) where: Base-Base interactions energy: -75.452 where: short stacking energy: -31.397 Base-Backbone interact. energy: -0.788 local terms energy: -42.039091 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -9.626 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -7.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -115.310879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.310879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.310879 (E_RNA) where: Base-Base interactions energy: -75.004 where: short stacking energy: -33.420 Base-Backbone interact. energy: -0.220 local terms energy: -40.086817 where: bonds (distance) C4'-P energy: -8.969 bonds (distance) P-C4' energy: -10.100 flat angles C4'-P-C4' energy: -10.599 flat angles P-C4'-P energy: -6.380 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -114.829739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.829739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.829739 (E_RNA) where: Base-Base interactions energy: -70.301 where: short stacking energy: -33.003 Base-Backbone interact. energy: -1.114 local terms energy: -43.414127 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -7.000 flat angles C4'-P-C4' energy: -10.974 flat angles P-C4'-P energy: -7.988 tors. eta vs tors. theta energy: -8.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -114.899210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.899210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.899210 (E_RNA) where: Base-Base interactions energy: -70.487 where: short stacking energy: -31.914 Base-Backbone interact. energy: -0.002 local terms energy: -44.410593 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -9.769 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -11.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -103.524546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.524546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.524546 (E_RNA) where: Base-Base interactions energy: -62.067 where: short stacking energy: -27.595 Base-Backbone interact. energy: 0.408 local terms energy: -41.865214 where: bonds (distance) C4'-P energy: -8.740 bonds (distance) P-C4' energy: -10.240 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -6.035 tors. eta vs tors. theta energy: -8.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -113.328174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.328174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.328174 (E_RNA) where: Base-Base interactions energy: -78.889 where: short stacking energy: -32.268 Base-Backbone interact. energy: -0.044 local terms energy: -34.395535 where: bonds (distance) C4'-P energy: -5.967 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -7.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -57.897675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.897675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.897675 (E_RNA) where: Base-Base interactions energy: -30.810 where: short stacking energy: -23.339 Base-Backbone interact. energy: -0.023 local terms energy: -27.064734 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -9.463 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -0.282 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: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -54.419647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.419647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.419647 (E_RNA) where: Base-Base interactions energy: -17.762 where: short stacking energy: -17.762 Base-Backbone interact. energy: -0.001 local terms energy: -36.657255 where: bonds (distance) C4'-P energy: -8.272 bonds (distance) P-C4' energy: -9.742 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -8.062 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -45.291547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.291547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.291547 (E_RNA) where: Base-Base interactions energy: -15.411 where: short stacking energy: -13.210 Base-Backbone interact. energy: -0.140 local terms energy: -29.739943 where: bonds (distance) C4'-P energy: -7.987 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: 2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -47.341707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.341707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.341707 (E_RNA) where: Base-Base interactions energy: -12.583 where: short stacking energy: -12.583 Base-Backbone interact. energy: -0.218 local terms energy: -34.540195 where: bonds (distance) C4'-P energy: -8.847 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -3.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -114.594910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.594910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.594910 (E_RNA) where: Base-Base interactions energy: -76.000 where: short stacking energy: -32.732 Base-Backbone interact. energy: -0.365 local terms energy: -38.229560 where: bonds (distance) C4'-P energy: -8.355 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -8.610 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -6.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -116.583932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.583932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.583932 (E_RNA) where: Base-Base interactions energy: -78.833 where: short stacking energy: -35.677 Base-Backbone interact. energy: -0.106 local terms energy: -37.644141 where: bonds (distance) C4'-P energy: -5.056 bonds (distance) P-C4' energy: -10.063 flat angles C4'-P-C4' energy: -9.373 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -9.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -113.605568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.605568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.605568 (E_RNA) where: Base-Base interactions energy: -73.238 where: short stacking energy: -32.821 Base-Backbone interact. energy: 0.358 local terms energy: -40.725280 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -8.726 flat angles P-C4'-P energy: -8.179 tors. eta vs tors. theta energy: -8.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -109.599634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.599634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.599634 (E_RNA) where: Base-Base interactions energy: -69.504 where: short stacking energy: -25.405 Base-Backbone interact. energy: -0.090 local terms energy: -40.005733 where: bonds (distance) C4'-P energy: -7.440 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -6.358 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: 5, replica: 1 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -103.872685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.872685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.872685 (E_RNA) where: Base-Base interactions energy: -70.443 where: short stacking energy: -31.642 Base-Backbone interact. energy: -0.059 local terms energy: -33.370957 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -1.666 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -106.171265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.171265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.171265 (E_RNA) where: Base-Base interactions energy: -64.606 where: short stacking energy: -27.945 Base-Backbone interact. energy: -1.053 local terms energy: -40.511825 where: bonds (distance) C4'-P energy: -7.922 bonds (distance) P-C4' energy: -10.067 flat angles C4'-P-C4' energy: -9.235 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -7.968 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: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -55.238917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.238917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.238917 (E_RNA) where: Base-Base interactions energy: -21.108 where: short stacking energy: -4.726 Base-Backbone interact. energy: -0.266 local terms energy: -33.865440 where: bonds (distance) C4'-P energy: -10.198 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: 1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -57.309843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.309843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.309843 (E_RNA) where: Base-Base interactions energy: -31.562 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.352 local terms energy: -25.395782 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -8.678 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -1.523 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -62.938466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.938466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.938466 (E_RNA) where: Base-Base interactions energy: -24.938 where: short stacking energy: -17.031 Base-Backbone interact. energy: -0.176 local terms energy: -37.824665 where: bonds (distance) C4'-P energy: -9.722 bonds (distance) P-C4' energy: -10.594 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -4.975 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: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -45.857837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.857837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.857837 (E_RNA) where: Base-Base interactions energy: -14.963 where: short stacking energy: -14.963 Base-Backbone interact. energy: -0.009 local terms energy: -30.885476 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -7.920 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -123.302314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.302314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.302314 (E_RNA) where: Base-Base interactions energy: -78.637 where: short stacking energy: -36.287 Base-Backbone interact. energy: -0.096 local terms energy: -44.569450 where: bonds (distance) C4'-P energy: -9.590 bonds (distance) P-C4' energy: -9.616 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -5.812 tors. eta vs tors. theta energy: -9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -116.508630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.508630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.508630 (E_RNA) where: Base-Base interactions energy: -74.466 where: short stacking energy: -34.685 Base-Backbone interact. energy: -0.010 local terms energy: -42.032032 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -8.724 flat angles C4'-P-C4' energy: -10.144 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -7.505 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: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -110.239958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.239958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.239958 (E_RNA) where: Base-Base interactions energy: -68.243 where: short stacking energy: -30.482 Base-Backbone interact. energy: -0.016 local terms energy: -41.980532 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -6.848 tors. eta vs tors. theta energy: -8.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -109.069196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.069196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.069196 (E_RNA) where: Base-Base interactions energy: -70.405 where: short stacking energy: -28.763 Base-Backbone interact. energy: -0.900 local terms energy: -37.764257 where: bonds (distance) C4'-P energy: -7.175 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -58.153041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.153041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.153041 (E_RNA) where: Base-Base interactions energy: -25.896 where: short stacking energy: -23.032 Base-Backbone interact. energy: -0.750 local terms energy: -31.506718 where: bonds (distance) C4'-P energy: -7.342 bonds (distance) P-C4' energy: -5.067 flat angles C4'-P-C4' energy: -9.841 flat angles P-C4'-P energy: -7.252 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -105.506003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.506003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.506003 (E_RNA) where: Base-Base interactions energy: -64.910 where: short stacking energy: -28.621 Base-Backbone interact. energy: -0.872 local terms energy: -39.724020 where: bonds (distance) C4'-P energy: -8.865 bonds (distance) P-C4' energy: -9.196 flat angles C4'-P-C4' energy: -10.117 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -8.521 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: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -57.622121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.622121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.622121 (E_RNA) where: Base-Base interactions energy: -22.446 where: short stacking energy: -12.655 Base-Backbone interact. energy: -0.013 local terms energy: -35.163331 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -7.707 flat angles C4'-P-C4' energy: -10.357 flat angles P-C4'-P energy: -7.474 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -49.491659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.491659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.491659 (E_RNA) where: Base-Base interactions energy: -16.892 where: short stacking energy: -16.892 Base-Backbone interact. energy: -0.025 local terms energy: -32.574173 where: bonds (distance) C4'-P energy: -8.765 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -51.535107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.535107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.535107 (E_RNA) where: Base-Base interactions energy: -28.417 where: short stacking energy: -28.417 Base-Backbone interact. energy: -0.003 local terms energy: -23.114942 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -6.881 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -0.069 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -53.577328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.577328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.577328 (E_RNA) where: Base-Base interactions energy: -18.125 where: short stacking energy: -14.526 Base-Backbone interact. energy: -0.288 local terms energy: -35.164915 where: bonds (distance) C4'-P energy: -7.955 bonds (distance) P-C4' energy: -9.774 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -117.553196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.553196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.553196 (E_RNA) where: Base-Base interactions energy: -76.596 where: short stacking energy: -34.746 Base-Backbone interact. energy: -0.000 local terms energy: -40.956862 where: bonds (distance) C4'-P energy: -9.034 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -7.056 tors. eta vs tors. theta energy: -8.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -114.277812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.277812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.277812 (E_RNA) where: Base-Base interactions energy: -71.888 where: short stacking energy: -31.580 Base-Backbone interact. energy: -1.143 local terms energy: -41.246848 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -7.808 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -8.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -107.554278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.554278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.554278 (E_RNA) where: Base-Base interactions energy: -65.370 where: short stacking energy: -29.989 Base-Backbone interact. energy: -0.005 local terms energy: -42.179991 where: bonds (distance) C4'-P energy: -8.294 bonds (distance) P-C4' energy: -9.211 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -8.055 tors. eta vs tors. theta energy: -8.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -106.719925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.719925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.719925 (E_RNA) where: Base-Base interactions energy: -66.311 where: short stacking energy: -26.005 Base-Backbone interact. energy: -0.001 local terms energy: -40.407815 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -8.960 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -6.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -111.001393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.001393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.001393 (E_RNA) where: Base-Base interactions energy: -67.601 where: short stacking energy: -26.432 Base-Backbone interact. energy: -0.172 local terms energy: -43.228806 where: bonds (distance) C4'-P energy: -8.699 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -10.819 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -8.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -64.837977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.837977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.837977 (E_RNA) where: Base-Base interactions energy: -25.526 where: short stacking energy: -25.526 Base-Backbone interact. energy: -0.004 local terms energy: -39.308265 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -5.992 tors. eta vs tors. theta energy: -7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -53.454934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.454934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.454934 (E_RNA) where: Base-Base interactions energy: -17.051 where: short stacking energy: -17.051 Base-Backbone interact. energy: -0.070 local terms energy: -36.333304 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -49.892727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.892727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.892727 (E_RNA) where: Base-Base interactions energy: -22.156 where: short stacking energy: -15.392 Base-Backbone interact. energy: -0.012 local terms energy: -27.725071 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -59.023589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.023589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.023589 (E_RNA) where: Base-Base interactions energy: -25.006 where: short stacking energy: -23.900 Base-Backbone interact. energy: -0.104 local terms energy: -33.914344 where: bonds (distance) C4'-P energy: -4.477 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -48.579501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.579501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.579501 (E_RNA) where: Base-Base interactions energy: -15.486 where: short stacking energy: -15.486 Base-Backbone interact. energy: -0.007 local terms energy: -33.086504 where: bonds (distance) C4'-P energy: -7.524 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -8.539 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: 0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -121.526425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.526425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.526425 (E_RNA) where: Base-Base interactions energy: -82.932 where: short stacking energy: -27.345 Base-Backbone interact. energy: -0.015 local terms energy: -38.579246 where: bonds (distance) C4'-P energy: -9.048 bonds (distance) P-C4' energy: -10.208 flat angles C4'-P-C4' energy: -8.982 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -7.648 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: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -116.723526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.723526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.723526 (E_RNA) where: Base-Base interactions energy: -85.930 where: short stacking energy: -32.978 Base-Backbone interact. energy: -0.014 local terms energy: -30.778976 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -1.583 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -113.756514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.756514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.756514 (E_RNA) where: Base-Base interactions energy: -74.847 where: short stacking energy: -31.707 Base-Backbone interact. energy: -0.001 local terms energy: -38.908624 where: bonds (distance) C4'-P energy: -6.626 bonds (distance) P-C4' energy: -9.858 flat angles C4'-P-C4' energy: -10.446 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -103.513337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.513337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.513337 (E_RNA) where: Base-Base interactions energy: -64.291 where: short stacking energy: -26.465 Base-Backbone interact. energy: -0.231 local terms energy: -38.991469 where: bonds (distance) C4'-P energy: -9.278 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -120.705894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.705894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.705894 (E_RNA) where: Base-Base interactions energy: -84.860 where: short stacking energy: -34.910 Base-Backbone interact. energy: 0.199 local terms energy: -36.044645 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -8.867 flat angles C4'-P-C4' energy: -9.723 flat angles P-C4'-P energy: -1.644 tors. eta vs tors. theta energy: -7.302 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: 6, replica: 10 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -62.166771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.166771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.166771 (E_RNA) where: Base-Base interactions energy: -32.390 where: short stacking energy: -21.614 Base-Backbone interact. energy: -0.075 local terms energy: -29.701721 where: bonds (distance) C4'-P energy: -4.692 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -54.753098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.753098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.753098 (E_RNA) where: Base-Base interactions energy: -19.035 where: short stacking energy: -12.274 Base-Backbone interact. energy: -0.081 local terms energy: -35.637113 where: bonds (distance) C4'-P energy: -9.283 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.117 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -57.919713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.919713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.919713 (E_RNA) where: Base-Base interactions energy: -29.140 where: short stacking energy: -21.601 Base-Backbone interact. energy: -1.072 local terms energy: -27.708002 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -7.672 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -48.067493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.067493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.067493 (E_RNA) where: Base-Base interactions energy: -14.945 where: short stacking energy: -14.945 Base-Backbone interact. energy: -0.081 local terms energy: -33.041426 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -8.846 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -45.700764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.700764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.700764 (E_RNA) where: Base-Base interactions energy: -24.105 where: short stacking energy: -21.710 Base-Backbone interact. energy: -0.098 local terms energy: -21.498469 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -7.215 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -0.180 tors. eta vs tors. theta energy: 1.665 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: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -119.537579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.537579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.537579 (E_RNA) where: Base-Base interactions energy: -76.902 where: short stacking energy: -31.739 Base-Backbone interact. energy: -0.750 local terms energy: -41.885457 where: bonds (distance) C4'-P energy: -8.456 bonds (distance) P-C4' energy: -9.387 flat angles C4'-P-C4' energy: -9.428 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -6.611 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: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -121.540211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.540211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.540211 (E_RNA) where: Base-Base interactions energy: -81.145 where: short stacking energy: -34.089 Base-Backbone interact. energy: -0.001 local terms energy: -40.394698 where: bonds (distance) C4'-P energy: -9.068 bonds (distance) P-C4' energy: -9.224 flat angles C4'-P-C4' energy: -9.748 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -7.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -117.579742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.579742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.579742 (E_RNA) where: Base-Base interactions energy: -83.267 where: short stacking energy: -30.069 Base-Backbone interact. energy: -0.020 local terms energy: -34.292104 where: bonds (distance) C4'-P energy: -8.020 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: 0.202 tors. eta vs tors. theta energy: -7.682 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: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -114.925563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.925563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.925563 (E_RNA) where: Base-Base interactions energy: -74.038 where: short stacking energy: -32.406 Base-Backbone interact. energy: -0.464 local terms energy: -40.423353 where: bonds (distance) C4'-P energy: -3.022 bonds (distance) P-C4' energy: -9.901 flat angles C4'-P-C4' energy: -9.591 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -9.779 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: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -108.218252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.218252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.218252 (E_RNA) where: Base-Base interactions energy: -72.345 where: short stacking energy: -29.847 Base-Backbone interact. energy: -0.124 local terms energy: -35.749490 where: bonds (distance) C4'-P energy: -7.705 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -7.236 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: 6, replica: 10 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -111.192206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.192206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.192206 (E_RNA) where: Base-Base interactions energy: -74.724 where: short stacking energy: -23.208 Base-Backbone interact. energy: -0.002 local terms energy: -36.466397 where: bonds (distance) C4'-P energy: -9.469 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -67.402247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.402247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.402247 (E_RNA) where: Base-Base interactions energy: -24.862 where: short stacking energy: -24.862 Base-Backbone interact. energy: -0.016 local terms energy: -42.524425 where: bonds (distance) C4'-P energy: -8.376 bonds (distance) P-C4' energy: -9.432 flat angles C4'-P-C4' energy: -10.750 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -6.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -64.564147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.564147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.564147 (E_RNA) where: Base-Base interactions energy: -28.493 where: short stacking energy: -19.651 Base-Backbone interact. energy: -0.004 local terms energy: -36.066756 where: bonds (distance) C4'-P energy: -8.526 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -5.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -58.734742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.734742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.734742 (E_RNA) where: Base-Base interactions energy: -22.103 where: short stacking energy: -22.103 Base-Backbone interact. energy: -0.004 local terms energy: -36.627816 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.931 flat angles P-C4'-P energy: -7.186 tors. eta vs tors. theta energy: -7.127 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: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -52.342852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.342852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.342852 (E_RNA) where: Base-Base interactions energy: -20.497 where: short stacking energy: -20.497 Base-Backbone interact. energy: -0.059 local terms energy: -31.787484 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -3.976 flat angles C4'-P-C4' energy: -9.911 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -119.212036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.212036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.212036 (E_RNA) where: Base-Base interactions energy: -82.632 where: short stacking energy: -35.952 Base-Backbone interact. energy: 0.477 local terms energy: -37.057779 where: bonds (distance) C4'-P energy: -8.219 bonds (distance) P-C4' energy: -9.488 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -111.539994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.539994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.539994 (E_RNA) where: Base-Base interactions energy: -68.621 where: short stacking energy: -30.882 Base-Backbone interact. energy: -0.103 local terms energy: -42.816287 where: bonds (distance) C4'-P energy: -8.645 bonds (distance) P-C4' energy: -8.725 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -10.572 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: 6 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -119.239775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.239775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.239775 (E_RNA) where: Base-Base interactions energy: -74.693 where: short stacking energy: -31.705 Base-Backbone interact. energy: -0.149 local terms energy: -44.397220 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -10.309 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -9.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -111.034765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.034765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.034765 (E_RNA) where: Base-Base interactions energy: -68.881 where: short stacking energy: -29.037 Base-Backbone interact. energy: -0.366 local terms energy: -41.787646 where: bonds (distance) C4'-P energy: -8.205 bonds (distance) P-C4' energy: -9.020 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -9.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -106.959714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.959714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.959714 (E_RNA) where: Base-Base interactions energy: -65.706 where: short stacking energy: -28.020 Base-Backbone interact. energy: -0.252 local terms energy: -41.001106 where: bonds (distance) C4'-P energy: -6.679 bonds (distance) P-C4' energy: -9.471 flat angles C4'-P-C4' energy: -10.480 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -6.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -102.516056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.516056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.516056 (E_RNA) where: Base-Base interactions energy: -63.831 where: short stacking energy: -27.410 Base-Backbone interact. energy: -0.100 local terms energy: -38.584431 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -10.717 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -65.101079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.101079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.101079 (E_RNA) where: Base-Base interactions energy: -26.153 where: short stacking energy: -16.024 Base-Backbone interact. energy: -0.050 local terms energy: -38.898081 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -8.855 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -48.624920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.624920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.624920 (E_RNA) where: Base-Base interactions energy: -18.004 where: short stacking energy: -18.004 Base-Backbone interact. energy: -0.027 local terms energy: -30.594502 where: bonds (distance) C4'-P energy: -7.179 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -9.299 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -57.958286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.958286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.958286 (E_RNA) where: Base-Base interactions energy: -29.449 where: short stacking energy: -15.251 Base-Backbone interact. energy: 1.985 local terms energy: -30.493939 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -47.041025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.041025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.041025 (E_RNA) where: Base-Base interactions energy: -17.377 where: short stacking energy: -10.842 Base-Backbone interact. energy: -0.041 local terms energy: -29.622905 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -10.063 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: 2.349 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: 358 Temperature: 0.900000 Total energy: -120.455028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.455028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.455028 (E_RNA) where: Base-Base interactions energy: -79.886 where: short stacking energy: -33.560 Base-Backbone interact. energy: -0.001 local terms energy: -40.568600 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -7.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -111.922635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.922635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.922635 (E_RNA) where: Base-Base interactions energy: -75.027 where: short stacking energy: -31.461 Base-Backbone interact. energy: -1.031 local terms energy: -35.864554 where: bonds (distance) C4'-P energy: -7.495 bonds (distance) P-C4' energy: -7.543 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -7.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -113.747244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.747244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.747244 (E_RNA) where: Base-Base interactions energy: -74.455 where: short stacking energy: -30.506 Base-Backbone interact. energy: -0.002 local terms energy: -39.290099 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -10.155 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -7.130 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -113.053747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.053747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.053747 (E_RNA) where: Base-Base interactions energy: -69.023 where: short stacking energy: -32.861 Base-Backbone interact. energy: -0.285 local terms energy: -43.746012 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -10.831 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -8.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -104.909368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.909368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.909368 (E_RNA) where: Base-Base interactions energy: -64.898 where: short stacking energy: -25.104 Base-Backbone interact. energy: -0.147 local terms energy: -39.864504 where: bonds (distance) C4'-P energy: -8.525 bonds (distance) P-C4' energy: -9.282 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -8.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -102.566007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.566007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.566007 (E_RNA) where: Base-Base interactions energy: -64.419 where: short stacking energy: -30.241 Base-Backbone interact. energy: -0.785 local terms energy: -37.362113 where: bonds (distance) C4'-P energy: -5.926 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -9.619 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -5.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -96.439520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.439520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.439520 (E_RNA) where: Base-Base interactions energy: -57.816 where: short stacking energy: -26.083 Base-Backbone interact. energy: -0.085 local terms energy: -38.538870 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -6.102 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: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -52.374739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.374739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.374739 (E_RNA) where: Base-Base interactions energy: -22.788 where: short stacking energy: -15.592 Base-Backbone interact. energy: -0.245 local terms energy: -29.341860 where: bonds (distance) C4'-P energy: -7.914 bonds (distance) P-C4' energy: -7.237 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -2.240 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: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -55.138882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.138882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.138882 (E_RNA) where: Base-Base interactions energy: -17.471 where: short stacking energy: -15.600 Base-Backbone interact. energy: -2.919 local terms energy: -34.749234 where: bonds (distance) C4'-P energy: -6.082 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -9.690 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -51.144570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.144570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.144570 (E_RNA) where: Base-Base interactions energy: -21.144 where: short stacking energy: -10.421 Base-Backbone interact. energy: -0.003 local terms energy: -29.996871 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -117.123646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.123646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.123646 (E_RNA) where: Base-Base interactions energy: -72.587 where: short stacking energy: -31.455 Base-Backbone interact. energy: -0.057 local terms energy: -44.479650 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -9.140 flat angles C4'-P-C4' energy: -10.001 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -9.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -113.962721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.962721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.962721 (E_RNA) where: Base-Base interactions energy: -75.949 where: short stacking energy: -33.305 Base-Backbone interact. energy: -0.003 local terms energy: -38.010242 where: bonds (distance) C4'-P energy: -7.913 bonds (distance) P-C4' energy: -9.432 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -8.503 tors. eta vs tors. theta energy: -7.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -115.883308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.883308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.883308 (E_RNA) where: Base-Base interactions energy: -74.673 where: short stacking energy: -25.977 Base-Backbone interact. energy: -0.091 local terms energy: -41.119810 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -11.339 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -10.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -104.216681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.216681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.216681 (E_RNA) where: Base-Base interactions energy: -65.892 where: short stacking energy: -24.825 Base-Backbone interact. energy: -0.747 local terms energy: -37.577787 where: bonds (distance) C4'-P energy: -8.431 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -103.735033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.735033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.735033 (E_RNA) where: Base-Base interactions energy: -62.470 where: short stacking energy: -27.771 Base-Backbone interact. energy: -0.026 local terms energy: -41.239347 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -10.622 flat angles C4'-P-C4' energy: -7.990 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -102.954232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.954232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.954232 (E_RNA) where: Base-Base interactions energy: -64.377 where: short stacking energy: -27.260 Base-Backbone interact. energy: -1.094 local terms energy: -37.483442 where: bonds (distance) C4'-P energy: -8.369 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -10.010 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -6.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -106.323290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.323290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.323290 (E_RNA) where: Base-Base interactions energy: -73.707 where: short stacking energy: -34.111 Base-Backbone interact. energy: -0.005 local terms energy: -32.611198 where: bonds (distance) C4'-P energy: -7.237 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -5.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -54.319254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.319254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.319254 (E_RNA) where: Base-Base interactions energy: -20.464 where: short stacking energy: -16.612 Base-Backbone interact. energy: 0.062 local terms energy: -33.916688 where: bonds (distance) C4'-P energy: -8.208 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -53.335766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.335766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.335766 (E_RNA) where: Base-Base interactions energy: -25.069 where: short stacking energy: -20.564 Base-Backbone interact. energy: -0.041 local terms energy: -28.226588 where: bonds (distance) C4'-P energy: -8.214 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -9.354 flat angles P-C4'-P energy: -0.859 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -44.053135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.053135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.053135 (E_RNA) where: Base-Base interactions energy: -17.480 where: short stacking energy: -8.637 Base-Backbone interact. energy: -0.012 local terms energy: -26.561259 where: bonds (distance) C4'-P energy: -8.728 bonds (distance) P-C4' energy: -6.393 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -0.660 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: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -121.539754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.539754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.539754 (E_RNA) where: Base-Base interactions energy: -83.650 where: short stacking energy: -36.555 Base-Backbone interact. energy: 0.006 local terms energy: -37.894993 where: bonds (distance) C4'-P energy: -8.475 bonds (distance) P-C4' energy: -8.138 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -10.031 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: 360 Temperature: 0.950000 Total energy: -118.993989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.993989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.993989 (E_RNA) where: Base-Base interactions energy: -72.353 where: short stacking energy: -34.001 Base-Backbone interact. energy: 0.934 local terms energy: -47.574872 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -9.929 flat angles P-C4'-P energy: -7.713 tors. eta vs tors. theta energy: -9.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -116.119020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.119020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.119020 (E_RNA) where: Base-Base interactions energy: -79.224 where: short stacking energy: -31.783 Base-Backbone interact. energy: -0.003 local terms energy: -36.891699 where: bonds (distance) C4'-P energy: -8.205 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -7.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -103.910206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.910206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.910206 (E_RNA) where: Base-Base interactions energy: -64.603 where: short stacking energy: -27.785 Base-Backbone interact. energy: -0.096 local terms energy: -39.211584 where: bonds (distance) C4'-P energy: -9.688 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -7.913 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -6.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -109.216202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.216202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.216202 (E_RNA) where: Base-Base interactions energy: -69.820 where: short stacking energy: -32.640 Base-Backbone interact. energy: -0.077 local terms energy: -39.318717 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -8.845 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -9.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -106.638837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.638837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.638837 (E_RNA) where: Base-Base interactions energy: -67.872 where: short stacking energy: -32.023 Base-Backbone interact. energy: -0.297 local terms energy: -38.470574 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -9.088 flat angles C4'-P-C4' energy: -10.251 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -5.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -106.100823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.100823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.100823 (E_RNA) where: Base-Base interactions energy: -76.141 where: short stacking energy: -30.386 Base-Backbone interact. energy: -0.502 local terms energy: -29.457875 where: bonds (distance) C4'-P energy: -8.120 bonds (distance) P-C4' energy: -3.462 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -7.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -57.823463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.823463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.823463 (E_RNA) where: Base-Base interactions energy: -16.188 where: short stacking energy: -16.071 Base-Backbone interact. energy: -0.092 local terms energy: -41.544315 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -51.771625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.771625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.771625 (E_RNA) where: Base-Base interactions energy: -19.173 where: short stacking energy: -17.761 Base-Backbone interact. energy: -0.001 local terms energy: -32.597695 where: bonds (distance) C4'-P energy: -8.658 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -56.252418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.252418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.252418 (E_RNA) where: Base-Base interactions energy: -30.780 where: short stacking energy: -19.784 Base-Backbone interact. energy: 0.332 local terms energy: -25.803726 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -2.321 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -118.735098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.735098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.735098 (E_RNA) where: Base-Base interactions energy: -72.768 where: short stacking energy: -33.321 Base-Backbone interact. energy: -0.414 local terms energy: -45.552835 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -9.514 flat angles C4'-P-C4' energy: -9.594 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -10.409 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: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -114.147968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.147968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.147968 (E_RNA) where: Base-Base interactions energy: -74.450 where: short stacking energy: -34.632 Base-Backbone interact. energy: -0.083 local terms energy: -39.614576 where: bonds (distance) C4'-P energy: -8.521 bonds (distance) P-C4' energy: -8.420 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -3.179 tors. eta vs tors. theta energy: -11.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -109.579663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.579663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.579663 (E_RNA) where: Base-Base interactions energy: -68.132 where: short stacking energy: -27.529 Base-Backbone interact. energy: -0.005 local terms energy: -41.441928 where: bonds (distance) C4'-P energy: -8.235 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -10.169 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -6.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -110.052149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.052149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.052149 (E_RNA) where: Base-Base interactions energy: -78.187 where: short stacking energy: -34.393 Base-Backbone interact. energy: -0.786 local terms energy: -31.079632 where: bonds (distance) C4'-P energy: -8.340 bonds (distance) P-C4' energy: -8.399 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -0.730 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -109.860563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.860563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.860563 (E_RNA) where: Base-Base interactions energy: -70.730 where: short stacking energy: -30.558 Base-Backbone interact. energy: -0.032 local terms energy: -39.098716 where: bonds (distance) C4'-P energy: -9.502 bonds (distance) P-C4' energy: -9.985 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -9.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -109.998664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.998664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.998664 (E_RNA) where: Base-Base interactions energy: -74.481 where: short stacking energy: -33.793 Base-Backbone interact. energy: -0.506 local terms energy: -35.011233 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -6.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -106.258369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.258369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.258369 (E_RNA) where: Base-Base interactions energy: -66.699 where: short stacking energy: -25.752 Base-Backbone interact. energy: -0.007 local terms energy: -39.552663 where: bonds (distance) C4'-P energy: -10.500 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -9.673 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -53.231300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.231300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.231300 (E_RNA) where: Base-Base interactions energy: -26.398 where: short stacking energy: -19.349 Base-Backbone interact. energy: -0.100 local terms energy: -26.733873 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -5.794 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -60.263474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.263474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.263474 (E_RNA) where: Base-Base interactions energy: -24.824 where: short stacking energy: -17.634 Base-Backbone interact. energy: -0.130 local terms energy: -35.309477 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -41.086575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.086575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.086575 (E_RNA) where: Base-Base interactions energy: -11.634 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.018 local terms energy: -29.433768 where: bonds (distance) C4'-P energy: -9.266 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: 0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -119.383557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.383557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.383557 (E_RNA) where: Base-Base interactions energy: -81.783 where: short stacking energy: -38.754 Base-Backbone interact. energy: -0.002 local terms energy: -37.598804 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -7.373 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -8.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -108.484453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.484453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.484453 (E_RNA) where: Base-Base interactions energy: -68.991 where: short stacking energy: -31.696 Base-Backbone interact. energy: -0.498 local terms energy: -38.995895 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -6.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -111.528932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.528932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.528932 (E_RNA) where: Base-Base interactions energy: -66.547 where: short stacking energy: -32.251 Base-Backbone interact. energy: -1.138 local terms energy: -43.844584 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -10.626 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -105.706400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.706400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.706400 (E_RNA) where: Base-Base interactions energy: -70.510 where: short stacking energy: -27.738 Base-Backbone interact. energy: -0.145 local terms energy: -35.051062 where: bonds (distance) C4'-P energy: -8.385 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -111.381086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.381086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.381086 (E_RNA) where: Base-Base interactions energy: -75.340 where: short stacking energy: -31.600 Base-Backbone interact. energy: -0.003 local terms energy: -36.038109 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -1.247 tors. eta vs tors. theta energy: -6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -99.436687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.436687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.436687 (E_RNA) where: Base-Base interactions energy: -63.526 where: short stacking energy: -27.731 Base-Backbone interact. energy: -0.305 local terms energy: -35.606554 where: bonds (distance) C4'-P energy: -7.507 bonds (distance) P-C4' energy: -6.970 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -53.929090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.929090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.929090 (E_RNA) where: Base-Base interactions energy: -18.820 where: short stacking energy: -17.469 Base-Backbone interact. energy: -0.075 local terms energy: -35.034346 where: bonds (distance) C4'-P energy: -6.402 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -9.936 flat angles P-C4'-P energy: -7.708 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -60.088286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.088286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.088286 (E_RNA) where: Base-Base interactions energy: -29.711 where: short stacking energy: -20.315 Base-Backbone interact. energy: -0.001 local terms energy: -30.376724 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -1.849 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -60.916285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.916285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.916285 (E_RNA) where: Base-Base interactions energy: -33.270 where: short stacking energy: -17.461 Base-Backbone interact. energy: -0.000 local terms energy: -27.646654 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -50.262918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.262918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.262918 (E_RNA) where: Base-Base interactions energy: -23.101 where: short stacking energy: -16.413 Base-Backbone interact. energy: -0.044 local terms energy: -27.117865 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -9.478 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -0.962 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -120.376331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.376331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.376331 (E_RNA) where: Base-Base interactions energy: -77.225 where: short stacking energy: -35.429 Base-Backbone interact. energy: -0.001 local terms energy: -43.150188 where: bonds (distance) C4'-P energy: -9.381 bonds (distance) P-C4' energy: -10.824 flat angles C4'-P-C4' energy: -8.259 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -9.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -114.610940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.610940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.610940 (E_RNA) where: Base-Base interactions energy: -74.359 where: short stacking energy: -34.516 Base-Backbone interact. energy: -0.152 local terms energy: -40.100056 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -7.945 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -7.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -118.775585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.775585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.775585 (E_RNA) where: Base-Base interactions energy: -78.930 where: short stacking energy: -31.880 Base-Backbone interact. energy: -0.004 local terms energy: -39.841358 where: bonds (distance) C4'-P energy: -8.630 bonds (distance) P-C4' energy: -9.647 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -9.832 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: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -113.331967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.331967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.331967 (E_RNA) where: Base-Base interactions energy: -70.529 where: short stacking energy: -31.242 Base-Backbone interact. energy: -0.183 local terms energy: -42.620234 where: bonds (distance) C4'-P energy: -9.945 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -9.362 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -9.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -109.962465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.962465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.962465 (E_RNA) where: Base-Base interactions energy: -69.329 where: short stacking energy: -24.631 Base-Backbone interact. energy: -0.098 local terms energy: -40.534837 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -7.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -108.021640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.021640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.021640 (E_RNA) where: Base-Base interactions energy: -67.822 where: short stacking energy: -29.658 Base-Backbone interact. energy: 0.137 local terms energy: -40.336859 where: bonds (distance) C4'-P energy: -6.393 bonds (distance) P-C4' energy: -10.352 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -9.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -49.603594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.603594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.603594 (E_RNA) where: Base-Base interactions energy: -18.129 where: short stacking energy: -15.189 Base-Backbone interact. energy: -1.142 local terms energy: -30.333245 where: bonds (distance) C4'-P energy: -5.751 bonds (distance) P-C4' energy: -9.414 flat angles C4'-P-C4' energy: -8.441 flat angles P-C4'-P energy: -7.245 tors. eta vs tors. theta energy: 0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -53.436929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.436929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.436929 (E_RNA) where: Base-Base interactions energy: -16.094 where: short stacking energy: -16.094 Base-Backbone interact. energy: -0.361 local terms energy: -36.981125 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -7.829 tors. eta vs tors. theta energy: -0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -44.342156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.342156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.342156 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -7.065 Base-Backbone interact. energy: -1.165 local terms energy: -32.136301 where: bonds (distance) C4'-P energy: -6.192 bonds (distance) P-C4' energy: -11.342 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -53.505881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.505881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.505881 (E_RNA) where: Base-Base interactions energy: -16.228 where: short stacking energy: -16.228 Base-Backbone interact. energy: -0.001 local terms energy: -37.276630 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -123.562783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.562783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.562783 (E_RNA) where: Base-Base interactions energy: -81.097 where: short stacking energy: -34.851 Base-Backbone interact. energy: -0.004 local terms energy: -42.461439 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -7.755 tors. eta vs tors. theta energy: -9.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -122.787923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.787923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.787923 (E_RNA) where: Base-Base interactions energy: -78.826 where: short stacking energy: -29.400 Base-Backbone interact. energy: -0.027 local terms energy: -43.934959 where: bonds (distance) C4'-P energy: -8.185 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -9.166 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -11.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -113.592428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.592428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.592428 (E_RNA) where: Base-Base interactions energy: -69.949 where: short stacking energy: -27.584 Base-Backbone interact. energy: 0.896 local terms energy: -44.539256 where: bonds (distance) C4'-P energy: -9.092 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -9.901 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -9.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -108.454184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.454184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.454184 (E_RNA) where: Base-Base interactions energy: -73.011 where: short stacking energy: -31.450 Base-Backbone interact. energy: -0.358 local terms energy: -35.085330 where: bonds (distance) C4'-P energy: -6.476 bonds (distance) P-C4' energy: -9.013 flat angles C4'-P-C4' energy: -8.582 flat angles P-C4'-P energy: -6.898 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -104.820623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.820623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.820623 (E_RNA) where: Base-Base interactions energy: -69.429 where: short stacking energy: -27.895 Base-Backbone interact. energy: -0.012 local terms energy: -35.379446 where: bonds (distance) C4'-P energy: -6.803 bonds (distance) P-C4' energy: -9.278 flat angles C4'-P-C4' energy: -9.814 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -101.542796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.542796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.542796 (E_RNA) where: Base-Base interactions energy: -63.498 where: short stacking energy: -25.822 Base-Backbone interact. energy: -0.046 local terms energy: -37.998604 where: bonds (distance) C4'-P energy: -8.741 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -2.329 tors. eta vs tors. theta energy: -9.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -59.935204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.935204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.935204 (E_RNA) where: Base-Base interactions energy: -30.822 where: short stacking energy: -23.466 Base-Backbone interact. energy: -0.003 local terms energy: -29.110565 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -7.924 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -52.058507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.058507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.058507 (E_RNA) where: Base-Base interactions energy: -18.900 where: short stacking energy: -15.792 Base-Backbone interact. energy: -0.286 local terms energy: -32.872963 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -49.288082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.288082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.288082 (E_RNA) where: Base-Base interactions energy: -17.300 where: short stacking energy: -17.300 Base-Backbone interact. energy: 0.767 local terms energy: -32.755108 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -1.360 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -42.215300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.215300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.215300 (E_RNA) where: Base-Base interactions energy: -7.580 where: short stacking energy: -7.580 Base-Backbone interact. energy: 0.171 local terms energy: -34.806567 where: bonds (distance) C4'-P energy: -6.989 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -7.266 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -110.581206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.581206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.581206 (E_RNA) where: Base-Base interactions energy: -68.346 where: short stacking energy: -27.534 Base-Backbone interact. energy: -0.392 local terms energy: -41.843034 where: bonds (distance) C4'-P energy: -8.319 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -7.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -113.953961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.953961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.953961 (E_RNA) where: Base-Base interactions energy: -73.510 where: short stacking energy: -30.675 Base-Backbone interact. energy: -0.180 local terms energy: -40.263913 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -5.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -113.195802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.195802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.195802 (E_RNA) where: Base-Base interactions energy: -72.334 where: short stacking energy: -32.784 Base-Backbone interact. energy: -0.008 local terms energy: -40.853291 where: bonds (distance) C4'-P energy: -5.392 bonds (distance) P-C4' energy: -8.395 flat angles C4'-P-C4' energy: -9.753 flat angles P-C4'-P energy: -6.421 tors. eta vs tors. theta energy: -10.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -107.220634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.220634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.220634 (E_RNA) where: Base-Base interactions energy: -70.780 where: short stacking energy: -26.713 Base-Backbone interact. energy: -0.111 local terms energy: -36.329787 where: bonds (distance) C4'-P energy: -6.886 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -7.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -105.547104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.547104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.547104 (E_RNA) where: Base-Base interactions energy: -72.425 where: short stacking energy: -30.415 Base-Backbone interact. energy: -0.001 local terms energy: -33.121481 where: bonds (distance) C4'-P energy: -5.640 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -102.441785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.441785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.441785 (E_RNA) where: Base-Base interactions energy: -65.789 where: short stacking energy: -28.485 Base-Backbone interact. energy: -0.101 local terms energy: -36.551778 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -10.765 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -8.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -50.895247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.895247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.895247 (E_RNA) where: Base-Base interactions energy: -19.243 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.089 local terms energy: -31.562780 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -3.677 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: 8 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -52.855631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.855631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.855631 (E_RNA) where: Base-Base interactions energy: -19.242 where: short stacking energy: -17.716 Base-Backbone interact. energy: -0.079 local terms energy: -33.534747 where: bonds (distance) C4'-P energy: -6.439 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -9.658 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -48.538700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.538700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.538700 (E_RNA) where: Base-Base interactions energy: -20.944 where: short stacking energy: -13.368 Base-Backbone interact. energy: -0.598 local terms energy: -26.996661 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -53.881116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.881116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.881116 (E_RNA) where: Base-Base interactions energy: -29.306 where: short stacking energy: -12.047 Base-Backbone interact. energy: -1.964 local terms energy: -22.610935 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: 2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -120.085075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.085075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.085075 (E_RNA) where: Base-Base interactions energy: -85.304 where: short stacking energy: -31.990 Base-Backbone interact. energy: -0.610 local terms energy: -34.171158 where: bonds (distance) C4'-P energy: -8.455 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -6.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -112.787465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.787465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.787465 (E_RNA) where: Base-Base interactions energy: -77.614 where: short stacking energy: -27.324 Base-Backbone interact. energy: -0.079 local terms energy: -35.094414 where: bonds (distance) C4'-P energy: -8.537 bonds (distance) P-C4' energy: -8.983 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -3.864 tors. eta vs tors. theta energy: -5.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -113.705115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.705115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.705115 (E_RNA) where: Base-Base interactions energy: -72.191 where: short stacking energy: -33.398 Base-Backbone interact. energy: -0.912 local terms energy: -40.601955 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -5.834 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -8.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -111.997205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.997205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.997205 (E_RNA) where: Base-Base interactions energy: -69.696 where: short stacking energy: -27.396 Base-Backbone interact. energy: -0.234 local terms energy: -42.067015 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -9.767 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -10.254 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: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -105.168900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.168900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.168900 (E_RNA) where: Base-Base interactions energy: -69.614 where: short stacking energy: -26.822 Base-Backbone interact. energy: -0.017 local terms energy: -35.537850 where: bonds (distance) C4'-P energy: -8.426 bonds (distance) P-C4' energy: -7.685 flat angles C4'-P-C4' energy: -9.614 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -101.703380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.703380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.703380 (E_RNA) where: Base-Base interactions energy: -69.587 where: short stacking energy: -29.013 Base-Backbone interact. energy: -0.059 local terms energy: -32.057413 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -7.923 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -60.353955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.353955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.353955 (E_RNA) where: Base-Base interactions energy: -17.772 where: short stacking energy: -17.772 Base-Backbone interact. energy: -0.021 local terms energy: -42.560471 where: bonds (distance) C4'-P energy: -9.878 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -7.384 tors. eta vs tors. theta energy: -7.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -57.864121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.864121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.864121 (E_RNA) where: Base-Base interactions energy: -24.517 where: short stacking energy: -14.074 Base-Backbone interact. energy: -0.060 local terms energy: -33.287513 where: bonds (distance) C4'-P energy: -7.268 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -52.623280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.623280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.623280 (E_RNA) where: Base-Base interactions energy: -24.967 where: short stacking energy: -14.450 Base-Backbone interact. energy: -0.026 local terms energy: -27.630354 where: bonds (distance) C4'-P energy: -8.199 bonds (distance) P-C4' energy: -4.954 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -45.683586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.683586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.683586 (E_RNA) where: Base-Base interactions energy: -20.154 where: short stacking energy: -19.718 Base-Backbone interact. energy: -0.073 local terms energy: -25.455888 where: bonds (distance) C4'-P energy: -8.142 bonds (distance) P-C4' energy: -10.053 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: 2.483 tors. eta vs tors. theta energy: -0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -119.462345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.462345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.462345 (E_RNA) where: Base-Base interactions energy: -78.797 where: short stacking energy: -29.425 Base-Backbone interact. energy: -0.004 local terms energy: -40.660579 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -9.243 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -8.245 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: 9 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -117.800736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.800736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.800736 (E_RNA) where: Base-Base interactions energy: -73.289 where: short stacking energy: -36.929 Base-Backbone interact. energy: -1.060 local terms energy: -43.451922 where: bonds (distance) C4'-P energy: -6.844 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -10.362 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -10.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -113.179279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.179279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.179279 (E_RNA) where: Base-Base interactions energy: -70.903 where: short stacking energy: -33.000 Base-Backbone interact. energy: -0.000 local terms energy: -42.275729 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -10.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -105.043916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.043916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.043916 (E_RNA) where: Base-Base interactions energy: -64.694 where: short stacking energy: -27.932 Base-Backbone interact. energy: -0.009 local terms energy: -40.340734 where: bonds (distance) C4'-P energy: -6.177 bonds (distance) P-C4' energy: -10.208 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -6.512 tors. eta vs tors. theta energy: -8.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -109.948221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.948221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.948221 (E_RNA) where: Base-Base interactions energy: -72.094 where: short stacking energy: -29.175 Base-Backbone interact. energy: -0.748 local terms energy: -37.105853 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -5.440 flat angles C4'-P-C4' energy: -11.060 flat angles P-C4'-P energy: -6.742 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -106.704617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.704617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.704617 (E_RNA) where: Base-Base interactions energy: -65.530 where: short stacking energy: -28.691 Base-Backbone interact. energy: -0.025 local terms energy: -41.150265 where: bonds (distance) C4'-P energy: -8.766 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -7.447 tors. eta vs tors. theta energy: -7.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -54.061848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.061848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.061848 (E_RNA) where: Base-Base interactions energy: -19.858 where: short stacking energy: -18.443 Base-Backbone interact. energy: -0.083 local terms energy: -34.120726 where: bonds (distance) C4'-P energy: -4.828 bonds (distance) P-C4' energy: -8.791 flat angles C4'-P-C4' energy: -9.480 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -57.115645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.115645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.115645 (E_RNA) where: Base-Base interactions energy: -16.119 where: short stacking energy: -16.119 Base-Backbone interact. energy: -0.002 local terms energy: -40.994860 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -10.650 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -49.718637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.718637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.718637 (E_RNA) where: Base-Base interactions energy: -20.809 where: short stacking energy: -14.507 Base-Backbone interact. energy: -0.108 local terms energy: -28.801843 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -9.539 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -51.902160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.902160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.902160 (E_RNA) where: Base-Base interactions energy: -20.823 where: short stacking energy: -20.823 Base-Backbone interact. energy: -0.013 local terms energy: -31.065673 where: bonds (distance) C4'-P energy: -7.710 bonds (distance) P-C4' energy: -7.955 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -118.542024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.542024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.542024 (E_RNA) where: Base-Base interactions energy: -72.268 where: short stacking energy: -35.722 Base-Backbone interact. energy: -0.011 local terms energy: -46.262801 where: bonds (distance) C4'-P energy: -9.043 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -7.639 tors. eta vs tors. theta energy: -9.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -108.796415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.796415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.796415 (E_RNA) where: Base-Base interactions energy: -70.548 where: short stacking energy: -27.377 Base-Backbone interact. energy: -0.002 local terms energy: -38.246644 where: bonds (distance) C4'-P energy: -7.834 bonds (distance) P-C4' energy: -9.549 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -7.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -110.830167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.830167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.830167 (E_RNA) where: Base-Base interactions energy: -70.541 where: short stacking energy: -32.553 Base-Backbone interact. energy: -0.492 local terms energy: -39.796641 where: bonds (distance) C4'-P energy: -7.735 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -9.575 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -9.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -108.689812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.689812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.689812 (E_RNA) where: Base-Base interactions energy: -70.850 where: short stacking energy: -34.340 Base-Backbone interact. energy: -0.001 local terms energy: -37.838462 where: bonds (distance) C4'-P energy: -6.101 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -9.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -108.949646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.949646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.949646 (E_RNA) where: Base-Base interactions energy: -71.511 where: short stacking energy: -31.355 Base-Backbone interact. energy: 0.200 local terms energy: -37.639343 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -6.688 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -9.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -104.397345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.397345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.397345 (E_RNA) where: Base-Base interactions energy: -68.652 where: short stacking energy: -23.649 Base-Backbone interact. energy: -0.017 local terms energy: -35.727923 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -10.814 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -51.715382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.715382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.715382 (E_RNA) where: Base-Base interactions energy: -16.661 where: short stacking energy: -16.661 Base-Backbone interact. energy: -0.007 local terms energy: -35.047349 where: bonds (distance) C4'-P energy: -8.426 bonds (distance) P-C4' energy: -9.436 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -6.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -54.206021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.206021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.206021 (E_RNA) where: Base-Base interactions energy: -21.815 where: short stacking energy: -21.915 Base-Backbone interact. energy: -0.021 local terms energy: -32.369286 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -55.772236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.772236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.772236 (E_RNA) where: Base-Base interactions energy: -25.404 where: short stacking energy: -10.052 Base-Backbone interact. energy: -0.040 local terms energy: -30.328102 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -7.745 tors. eta vs tors. theta energy: 1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -56.451669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.451669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.451669 (E_RNA) where: Base-Base interactions energy: -23.751 where: short stacking energy: -21.466 Base-Backbone interact. energy: -0.406 local terms energy: -32.295103 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -9.299 flat angles P-C4'-P energy: 1.555 tors. eta vs tors. theta energy: -8.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -123.493186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.493186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.493186 (E_RNA) where: Base-Base interactions energy: -83.019 where: short stacking energy: -33.731 Base-Backbone interact. energy: -0.906 local terms energy: -39.568355 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -7.131 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -11.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -116.570883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.570883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.570883 (E_RNA) where: Base-Base interactions energy: -76.309 where: short stacking energy: -34.167 Base-Backbone interact. energy: -0.001 local terms energy: -40.260064 where: bonds (distance) C4'-P energy: -8.290 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -9.712 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -8.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -105.648696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.648696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.648696 (E_RNA) where: Base-Base interactions energy: -68.582 where: short stacking energy: -34.013 Base-Backbone interact. energy: -0.071 local terms energy: -36.996261 where: bonds (distance) C4'-P energy: -6.285 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -7.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -110.386808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.386808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.386808 (E_RNA) where: Base-Base interactions energy: -69.977 where: short stacking energy: -32.343 Base-Backbone interact. energy: -0.001 local terms energy: -40.408751 where: bonds (distance) C4'-P energy: -9.158 bonds (distance) P-C4' energy: -7.197 flat angles C4'-P-C4' energy: -7.775 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -9.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -106.562958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.562958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.562958 (E_RNA) where: Base-Base interactions energy: -73.564 where: short stacking energy: -24.931 Base-Backbone interact. energy: -0.037 local terms energy: -32.962371 where: bonds (distance) C4'-P energy: -7.896 bonds (distance) P-C4' energy: -9.387 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -4.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -107.207691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.207691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.207691 (E_RNA) where: Base-Base interactions energy: -65.769 where: short stacking energy: -29.724 Base-Backbone interact. energy: -1.053 local terms energy: -40.385938 where: bonds (distance) C4'-P energy: -8.252 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -9.081 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -52.962267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.962267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.962267 (E_RNA) where: Base-Base interactions energy: -19.533 where: short stacking energy: -14.494 Base-Backbone interact. energy: -0.670 local terms energy: -32.759877 where: bonds (distance) C4'-P energy: -7.689 bonds (distance) P-C4' energy: -6.525 flat angles C4'-P-C4' energy: -9.585 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -5.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -90.028811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.028811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.028811 (E_RNA) where: Base-Base interactions energy: -61.815 where: short stacking energy: -22.812 Base-Backbone interact. energy: -0.366 local terms energy: -27.847758 where: bonds (distance) C4'-P energy: -8.293 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -0.857 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: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -52.471935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.471935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.471935 (E_RNA) where: Base-Base interactions energy: -18.500 where: short stacking energy: -18.500 Base-Backbone interact. energy: -0.073 local terms energy: -33.899080 where: bonds (distance) C4'-P energy: -8.903 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -1.783 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -4.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -54.104404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.104404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.104404 (E_RNA) where: Base-Base interactions energy: -21.844 where: short stacking energy: -21.844 Base-Backbone interact. energy: -0.004 local terms energy: -32.256202 where: bonds (distance) C4'-P energy: -7.313 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -124.964284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.964284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.964284 (E_RNA) where: Base-Base interactions energy: -84.445 where: short stacking energy: -35.259 Base-Backbone interact. energy: -0.610 local terms energy: -39.909167 where: bonds (distance) C4'-P energy: -9.050 bonds (distance) P-C4' energy: -10.131 flat angles C4'-P-C4' energy: -9.264 flat angles P-C4'-P energy: -0.995 tors. eta vs tors. theta energy: -10.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -110.808570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.808570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.808570 (E_RNA) where: Base-Base interactions energy: -71.238 where: short stacking energy: -28.561 Base-Backbone interact. energy: -0.288 local terms energy: -39.282420 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -6.536 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -112.511160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.511160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.511160 (E_RNA) where: Base-Base interactions energy: -69.214 where: short stacking energy: -33.747 Base-Backbone interact. energy: -0.125 local terms energy: -43.172103 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -9.791 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -8.436 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: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -107.351584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.351584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.351584 (E_RNA) where: Base-Base interactions energy: -75.318 where: short stacking energy: -26.839 Base-Backbone interact. energy: -0.038 local terms energy: -31.995717 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -9.305 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -1.573 tors. eta vs tors. theta energy: -7.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -109.003744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.003744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.003744 (E_RNA) where: Base-Base interactions energy: -63.969 where: short stacking energy: -29.739 Base-Backbone interact. energy: -0.027 local terms energy: -45.008509 where: bonds (distance) C4'-P energy: -8.690 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -10.121 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -9.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -79.951966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.951966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.951966 (E_RNA) where: Base-Base interactions energy: -50.644 where: short stacking energy: -23.606 Base-Backbone interact. energy: -0.112 local terms energy: -29.195903 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -1.371 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -108.205731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.205731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.205731 (E_RNA) where: Base-Base interactions energy: -70.669 where: short stacking energy: -30.383 Base-Backbone interact. energy: -0.001 local terms energy: -37.535357 where: bonds (distance) C4'-P energy: -7.733 bonds (distance) P-C4' energy: -9.395 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -8.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -54.555114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.555114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.555114 (E_RNA) where: Base-Base interactions energy: -15.627 where: short stacking energy: -15.602 Base-Backbone interact. energy: -0.004 local terms energy: -38.923275 where: bonds (distance) C4'-P energy: -7.606 bonds (distance) P-C4' energy: -10.906 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -54.891191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.891191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.891191 (E_RNA) where: Base-Base interactions energy: -28.691 where: short stacking energy: -11.328 Base-Backbone interact. energy: 0.982 local terms energy: -27.182146 where: bonds (distance) C4'-P energy: -8.684 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -9.139 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: 1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -48.889227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.889227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.889227 (E_RNA) where: Base-Base interactions energy: -15.754 where: short stacking energy: -13.283 Base-Backbone interact. energy: -0.145 local terms energy: -32.990102 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -9.411 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -121.386699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.386699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.386699 (E_RNA) where: Base-Base interactions energy: -79.075 where: short stacking energy: -32.450 Base-Backbone interact. energy: -0.624 local terms energy: -41.688035 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -5.961 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: 9 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -116.632948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.632948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.632948 (E_RNA) where: Base-Base interactions energy: -77.836 where: short stacking energy: -33.869 Base-Backbone interact. energy: -0.002 local terms energy: -38.794586 where: bonds (distance) C4'-P energy: -9.031 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -9.550 flat angles P-C4'-P energy: -1.643 tors. eta vs tors. theta energy: -8.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -112.679806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.679806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.679806 (E_RNA) where: Base-Base interactions energy: -70.642 where: short stacking energy: -33.944 Base-Backbone interact. energy: 0.092 local terms energy: -42.129599 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -9.848 flat angles P-C4'-P energy: -7.004 tors. eta vs tors. theta energy: -7.658 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: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -98.816751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.816751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.816751 (E_RNA) where: Base-Base interactions energy: -60.048 where: short stacking energy: -23.846 Base-Backbone interact. energy: -0.568 local terms energy: -38.201064 where: bonds (distance) C4'-P energy: -8.914 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -7.292 tors. eta vs tors. theta energy: -3.575 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: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -109.410764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.410764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.410764 (E_RNA) where: Base-Base interactions energy: -80.022 where: short stacking energy: -26.139 Base-Backbone interact. energy: -0.031 local terms energy: -29.357346 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: 1.942 tors. eta vs tors. theta energy: -8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -108.598604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.598604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.598604 (E_RNA) where: Base-Base interactions energy: -63.643 where: short stacking energy: -31.675 Base-Backbone interact. energy: -0.003 local terms energy: -44.952408 where: bonds (distance) C4'-P energy: -8.223 bonds (distance) P-C4' energy: -10.057 flat angles C4'-P-C4' energy: -10.065 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -9.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -57.444503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.444503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.444503 (E_RNA) where: Base-Base interactions energy: -23.966 where: short stacking energy: -22.695 Base-Backbone interact. energy: -0.196 local terms energy: -33.281962 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -56.326470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.326470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.326470 (E_RNA) where: Base-Base interactions energy: -23.374 where: short stacking energy: -19.559 Base-Backbone interact. energy: -0.244 local terms energy: -32.708598 where: bonds (distance) C4'-P energy: -8.951 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -7.052 tors. eta vs tors. theta energy: -0.177 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: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -49.847696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.847696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.847696 (E_RNA) where: Base-Base interactions energy: -18.905 where: short stacking energy: -19.305 Base-Backbone interact. energy: -0.337 local terms energy: -30.605681 where: bonds (distance) C4'-P energy: -8.625 bonds (distance) P-C4' energy: -8.703 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -51.216718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.216718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.216718 (E_RNA) where: Base-Base interactions energy: -19.757 where: short stacking energy: -8.308 Base-Backbone interact. energy: -0.277 local terms energy: -31.182703 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -9.729 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -122.561044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.561044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.561044 (E_RNA) where: Base-Base interactions energy: -79.992 where: short stacking energy: -34.209 Base-Backbone interact. energy: -1.184 local terms energy: -41.385215 where: bonds (distance) C4'-P energy: -9.164 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -7.915 tors. eta vs tors. theta energy: -6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -112.765288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.765288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.765288 (E_RNA) where: Base-Base interactions energy: -72.091 where: short stacking energy: -31.509 Base-Backbone interact. energy: -0.222 local terms energy: -40.451976 where: bonds (distance) C4'-P energy: -8.640 bonds (distance) P-C4' energy: -8.914 flat angles C4'-P-C4' energy: -8.465 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -108.284548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.284548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.284548 (E_RNA) where: Base-Base interactions energy: -72.512 where: short stacking energy: -30.682 Base-Backbone interact. energy: -0.009 local terms energy: -35.764118 where: bonds (distance) C4'-P energy: -8.724 bonds (distance) P-C4' energy: -6.362 flat angles C4'-P-C4' energy: -9.549 flat angles P-C4'-P energy: -1.634 tors. eta vs tors. theta energy: -9.495 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: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -111.421538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.421538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.421538 (E_RNA) where: Base-Base interactions energy: -74.086 where: short stacking energy: -33.125 Base-Backbone interact. energy: -0.002 local terms energy: -37.333600 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -9.193 flat angles C4'-P-C4' energy: -3.034 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -10.156 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: 8 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -105.866897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.866897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.866897 (E_RNA) where: Base-Base interactions energy: -69.475 where: short stacking energy: -29.587 Base-Backbone interact. energy: -0.035 local terms energy: -36.356572 where: bonds (distance) C4'-P energy: -9.714 bonds (distance) P-C4' energy: -9.151 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -7.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -75.659701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.659701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.659701 (E_RNA) where: Base-Base interactions energy: -42.490 where: short stacking energy: -17.413 Base-Backbone interact. energy: -0.200 local terms energy: -32.970164 where: bonds (distance) C4'-P energy: -10.020 bonds (distance) P-C4' energy: -7.197 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -6.826 tors. eta vs tors. theta energy: -1.214 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: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -53.766223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.766223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.766223 (E_RNA) where: Base-Base interactions energy: -22.644 where: short stacking energy: -12.769 Base-Backbone interact. energy: 0.032 local terms energy: -31.153980 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -9.263 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -3.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -61.338987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.338987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.338987 (E_RNA) where: Base-Base interactions energy: -21.365 where: short stacking energy: -20.559 Base-Backbone interact. energy: -0.093 local terms energy: -39.880345 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -9.554 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -7.402 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -51.197501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.197501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.197501 (E_RNA) where: Base-Base interactions energy: -21.055 where: short stacking energy: -21.055 Base-Backbone interact. energy: -0.028 local terms energy: -30.115144 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -8.231 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -48.622465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.622465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.622465 (E_RNA) where: Base-Base interactions energy: -17.157 where: short stacking energy: -17.157 Base-Backbone interact. energy: -0.157 local terms energy: -31.308308 where: bonds (distance) C4'-P energy: -7.896 bonds (distance) P-C4' energy: -7.218 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: 0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -116.147336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.147336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.147336 (E_RNA) where: Base-Base interactions energy: -72.511 where: short stacking energy: -33.846 Base-Backbone interact. energy: -0.005 local terms energy: -43.632131 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -8.980 flat angles P-C4'-P energy: -8.323 tors. eta vs tors. theta energy: -7.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -110.900193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.900193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.900193 (E_RNA) where: Base-Base interactions energy: -71.187 where: short stacking energy: -27.788 Base-Backbone interact. energy: -0.797 local terms energy: -38.916122 where: bonds (distance) C4'-P energy: -8.111 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -5.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -112.417374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.417374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.417374 (E_RNA) where: Base-Base interactions energy: -71.235 where: short stacking energy: -24.250 Base-Backbone interact. energy: -1.757 local terms energy: -39.425882 where: bonds (distance) C4'-P energy: -8.075 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -10.034 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -7.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -110.509342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.509342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.509342 (E_RNA) where: Base-Base interactions energy: -67.085 where: short stacking energy: -27.519 Base-Backbone interact. energy: -0.693 local terms energy: -42.731905 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -7.518 tors. eta vs tors. theta energy: -8.162 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: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -112.804004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.804004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.804004 (E_RNA) where: Base-Base interactions energy: -70.881 where: short stacking energy: -34.352 Base-Backbone interact. energy: -0.000 local terms energy: -41.922276 where: bonds (distance) C4'-P energy: -8.870 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -9.647 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -7.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -67.712970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.712970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.712970 (E_RNA) where: Base-Base interactions energy: -36.351 where: short stacking energy: -16.403 Base-Backbone interact. energy: -0.220 local terms energy: -31.141733 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -55.717264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.717264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.717264 (E_RNA) where: Base-Base interactions energy: -25.361 where: short stacking energy: -25.484 Base-Backbone interact. energy: -0.002 local terms energy: -30.354095 where: bonds (distance) C4'-P energy: -9.142 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -52.979679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.979679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.979679 (E_RNA) where: Base-Base interactions energy: -21.415 where: short stacking energy: -17.204 Base-Backbone interact. energy: -0.002 local terms energy: -31.562386 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -7.941 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -7.596 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -60.299942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.299942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.299942 (E_RNA) where: Base-Base interactions energy: -23.201 where: short stacking energy: -23.201 Base-Backbone interact. energy: -0.001 local terms energy: -37.098000 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -4.586 flat angles C4'-P-C4' energy: -9.540 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -5.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -69.150690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.150690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.150690 (E_RNA) where: Base-Base interactions energy: -35.193 where: short stacking energy: -24.914 Base-Backbone interact. energy: 0.166 local terms energy: -34.123484 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -4.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -118.039208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.039208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.039208 (E_RNA) where: Base-Base interactions energy: -76.400 where: short stacking energy: -31.963 Base-Backbone interact. energy: -0.003 local terms energy: -41.635693 where: bonds (distance) C4'-P energy: -9.283 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -9.193 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -8.834 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: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -110.910675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.910675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.910675 (E_RNA) where: Base-Base interactions energy: -71.338 where: short stacking energy: -30.210 Base-Backbone interact. energy: -0.615 local terms energy: -38.957733 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -9.221 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -115.221269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.221269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.221269 (E_RNA) where: Base-Base interactions energy: -72.721 where: short stacking energy: -27.172 Base-Backbone interact. energy: -0.101 local terms energy: -42.399411 where: bonds (distance) C4'-P energy: -9.303 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -6.593 tors. eta vs tors. theta energy: -8.032 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: 8 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -109.823452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.823452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.823452 (E_RNA) where: Base-Base interactions energy: -73.928 where: short stacking energy: -30.625 Base-Backbone interact. energy: -0.001 local terms energy: -35.894281 where: bonds (distance) C4'-P energy: -9.102 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -7.580 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: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -104.393363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.393363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.393363 (E_RNA) where: Base-Base interactions energy: -65.622 where: short stacking energy: -28.176 Base-Backbone interact. energy: -0.339 local terms energy: -38.432593 where: bonds (distance) C4'-P energy: -7.453 bonds (distance) P-C4' energy: -9.395 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -8.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -84.622193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.622193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.622193 (E_RNA) where: Base-Base interactions energy: -44.525 where: short stacking energy: -21.268 Base-Backbone interact. energy: -0.116 local terms energy: -39.981452 where: bonds (distance) C4'-P energy: -8.294 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -10.778 flat angles P-C4'-P energy: -7.991 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -48.496344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.496344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.496344 (E_RNA) where: Base-Base interactions energy: -19.543 where: short stacking energy: -19.543 Base-Backbone interact. energy: 0.128 local terms energy: -29.081564 where: bonds (distance) C4'-P energy: -5.316 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: 1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -62.983142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.983142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.983142 (E_RNA) where: Base-Base interactions energy: -34.362 where: short stacking energy: -15.658 Base-Backbone interact. energy: -0.396 local terms energy: -28.225064 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -10.063 flat angles C4'-P-C4' energy: -8.975 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: 1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -49.089220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.089220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.089220 (E_RNA) where: Base-Base interactions energy: -15.726 where: short stacking energy: -15.726 Base-Backbone interact. energy: -0.107 local terms energy: -33.255522 where: bonds (distance) C4'-P energy: -5.101 bonds (distance) P-C4' energy: -7.300 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -48.652454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.652454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.652454 (E_RNA) where: Base-Base interactions energy: -29.007 where: short stacking energy: -17.796 Base-Backbone interact. energy: -0.022 local terms energy: -19.623527 where: bonds (distance) C4'-P energy: -8.894 bonds (distance) P-C4' energy: -5.958 flat angles C4'-P-C4' energy: -2.268 flat angles P-C4'-P energy: -1.312 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -123.874201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.874201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.874201 (E_RNA) where: Base-Base interactions energy: -77.822 where: short stacking energy: -34.394 Base-Backbone interact. energy: -0.276 local terms energy: -45.776053 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -9.985 flat angles C4'-P-C4' energy: -9.603 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -11.096 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: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -123.062473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.062473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.062473 (E_RNA) where: Base-Base interactions energy: -85.616 where: short stacking energy: -38.903 Base-Backbone interact. energy: 0.030 local terms energy: -37.475813 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -10.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -110.556462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.556462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.556462 (E_RNA) where: Base-Base interactions energy: -68.304 where: short stacking energy: -34.007 Base-Backbone interact. energy: -2.724 local terms energy: -39.528709 where: bonds (distance) C4'-P energy: -7.672 bonds (distance) P-C4' energy: -6.758 flat angles C4'-P-C4' energy: -10.584 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -9.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -109.986847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.986847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.986847 (E_RNA) where: Base-Base interactions energy: -63.767 where: short stacking energy: -27.301 Base-Backbone interact. energy: -0.892 local terms energy: -45.328132 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -9.843 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: -8.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -103.709538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.709538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.709538 (E_RNA) where: Base-Base interactions energy: -59.276 where: short stacking energy: -26.114 Base-Backbone interact. energy: -1.355 local terms energy: -43.078741 where: bonds (distance) C4'-P energy: -9.162 bonds (distance) P-C4' energy: -10.112 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -7.214 tors. eta vs tors. theta energy: -7.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -62.085321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.085321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.085321 (E_RNA) where: Base-Base interactions energy: -21.179 where: short stacking energy: -21.142 Base-Backbone interact. energy: -0.108 local terms energy: -40.798275 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -9.016 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -54.132126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.132126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.132126 (E_RNA) where: Base-Base interactions energy: -22.049 where: short stacking energy: -21.559 Base-Backbone interact. energy: -1.856 local terms energy: -30.227456 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -4.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -56.723445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.723445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.723445 (E_RNA) where: Base-Base interactions energy: -20.589 where: short stacking energy: -20.589 Base-Backbone interact. energy: -0.019 local terms energy: -36.115223 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -9.018 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -52.153653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.153653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.153653 (E_RNA) where: Base-Base interactions energy: -17.684 where: short stacking energy: -17.684 Base-Backbone interact. energy: -0.187 local terms energy: -34.282922 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -9.274 flat angles C4'-P-C4' energy: -9.142 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -3.353 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: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -53.393222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.393222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.393222 (E_RNA) where: Base-Base interactions energy: -26.508 where: short stacking energy: -16.878 Base-Backbone interact. energy: -0.016 local terms energy: -26.869902 where: bonds (distance) C4'-P energy: -8.802 bonds (distance) P-C4' energy: -3.231 flat angles C4'-P-C4' energy: -8.297 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -123.310619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.310619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.310619 (E_RNA) where: Base-Base interactions energy: -86.074 where: short stacking energy: -33.015 Base-Backbone interact. energy: -0.034 local terms energy: -37.202353 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -8.238 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -0.880 tors. eta vs tors. theta energy: -9.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -113.877975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.877975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.877975 (E_RNA) where: Base-Base interactions energy: -72.049 where: short stacking energy: -32.343 Base-Backbone interact. energy: -0.001 local terms energy: -41.828530 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -8.947 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: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -114.388542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.388542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.388542 (E_RNA) where: Base-Base interactions energy: -77.158 where: short stacking energy: -31.564 Base-Backbone interact. energy: -0.291 local terms energy: -36.939462 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -6.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -106.628965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.628965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.628965 (E_RNA) where: Base-Base interactions energy: -66.046 where: short stacking energy: -29.937 Base-Backbone interact. energy: -0.017 local terms energy: -40.566265 where: bonds (distance) C4'-P energy: -8.500 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -9.158 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -8.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -100.656211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.656211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.656211 (E_RNA) where: Base-Base interactions energy: -57.530 where: short stacking energy: -20.941 Base-Backbone interact. energy: -0.094 local terms energy: -43.032356 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -9.993 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -65.166342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.166342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.166342 (E_RNA) where: Base-Base interactions energy: -22.690 where: short stacking energy: -18.091 Base-Backbone interact. energy: -0.139 local terms energy: -42.337849 where: bonds (distance) C4'-P energy: -8.881 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: -6.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -54.116310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.116310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.116310 (E_RNA) where: Base-Base interactions energy: -24.195 where: short stacking energy: -24.195 Base-Backbone interact. energy: -0.023 local terms energy: -29.898100 where: bonds (distance) C4'-P energy: -7.651 bonds (distance) P-C4' energy: -9.662 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -53.818861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.818861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.818861 (E_RNA) where: Base-Base interactions energy: -18.724 where: short stacking energy: -18.724 Base-Backbone interact. energy: 0.266 local terms energy: -35.361413 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -7.401 flat angles C4'-P-C4' energy: -10.210 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -53.316055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.316055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.316055 (E_RNA) where: Base-Base interactions energy: -26.166 where: short stacking energy: -18.096 Base-Backbone interact. energy: 0.479 local terms energy: -27.629500 where: bonds (distance) C4'-P energy: -9.717 bonds (distance) P-C4' energy: -6.701 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: 1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -49.962306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.962306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.962306 (E_RNA) where: Base-Base interactions energy: -21.850 where: short stacking energy: -21.850 Base-Backbone interact. energy: -0.090 local terms energy: -28.022551 where: bonds (distance) C4'-P energy: -5.996 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -121.232440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.232440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.232440 (E_RNA) where: Base-Base interactions energy: -84.829 where: short stacking energy: -35.745 Base-Backbone interact. energy: -0.005 local terms energy: -36.399124 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -8.181 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -10.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -113.331046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.331046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.331046 (E_RNA) where: Base-Base interactions energy: -73.055 where: short stacking energy: -30.735 Base-Backbone interact. energy: -0.521 local terms energy: -39.755099 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.970 flat angles C4'-P-C4' energy: -9.619 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -8.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -117.165628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.165628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.165628 (E_RNA) where: Base-Base interactions energy: -79.658 where: short stacking energy: -35.644 Base-Backbone interact. energy: -0.004 local terms energy: -37.502862 where: bonds (distance) C4'-P energy: -8.728 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -8.242 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: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -106.592645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.592645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.592645 (E_RNA) where: Base-Base interactions energy: -66.988 where: short stacking energy: -27.988 Base-Backbone interact. energy: -0.250 local terms energy: -39.355008 where: bonds (distance) C4'-P energy: -8.542 bonds (distance) P-C4' energy: -10.345 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -11.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -113.270958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.270958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.270958 (E_RNA) where: Base-Base interactions energy: -80.200 where: short stacking energy: -30.224 Base-Backbone interact. energy: -0.024 local terms energy: -33.046478 where: bonds (distance) C4'-P energy: -7.991 bonds (distance) P-C4' energy: -9.150 flat angles C4'-P-C4' energy: -8.993 flat angles P-C4'-P energy: 1.195 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -62.625481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.625481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.625481 (E_RNA) where: Base-Base interactions energy: -26.045 where: short stacking energy: -22.852 Base-Backbone interact. energy: -0.040 local terms energy: -36.540387 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -9.611 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -66.056078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.056078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.056078 (E_RNA) where: Base-Base interactions energy: -38.446 where: short stacking energy: -15.313 Base-Backbone interact. energy: -0.082 local terms energy: -27.528016 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: 0.288 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: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -61.037714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.037714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.037714 (E_RNA) where: Base-Base interactions energy: -21.034 where: short stacking energy: -21.034 Base-Backbone interact. energy: -0.039 local terms energy: -39.965159 where: bonds (distance) C4'-P energy: -9.283 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -5.398 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: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -56.822547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.822547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.822547 (E_RNA) where: Base-Base interactions energy: -19.779 where: short stacking energy: -19.779 Base-Backbone interact. energy: -0.000 local terms energy: -37.043247 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -10.330 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -6.479 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -47.331538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.331538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.331538 (E_RNA) where: Base-Base interactions energy: -16.330 where: short stacking energy: -16.330 Base-Backbone interact. energy: -0.083 local terms energy: -30.918860 where: bonds (distance) C4'-P energy: -10.264 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -0.649 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: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -119.340090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.340090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.340090 (E_RNA) where: Base-Base interactions energy: -75.647 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.094 local terms energy: -43.599518 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -9.165 flat angles C4'-P-C4' energy: -9.780 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: -8.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -117.375007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.375007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.375007 (E_RNA) where: Base-Base interactions energy: -77.517 where: short stacking energy: -31.841 Base-Backbone interact. energy: -0.017 local terms energy: -39.841855 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.048 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -9.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -116.364078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.364078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.364078 (E_RNA) where: Base-Base interactions energy: -74.362 where: short stacking energy: -34.795 Base-Backbone interact. energy: -0.001 local terms energy: -42.001293 where: bonds (distance) C4'-P energy: -10.215 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -9.190 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -7.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -108.998448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.998448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.998448 (E_RNA) where: Base-Base interactions energy: -73.332 where: short stacking energy: -29.616 Base-Backbone interact. energy: -0.003 local terms energy: -35.663264 where: bonds (distance) C4'-P energy: -8.642 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -9.520 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -4.658 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: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -56.418603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.418603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.418603 (E_RNA) where: Base-Base interactions energy: -19.876 where: short stacking energy: -19.208 Base-Backbone interact. energy: -0.000 local terms energy: -36.541806 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -9.204 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -103.706481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.706481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.706481 (E_RNA) where: Base-Base interactions energy: -68.033 where: short stacking energy: -27.988 Base-Backbone interact. energy: -0.002 local terms energy: -35.671845 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -8.144 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -7.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -68.001765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.001765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.001765 (E_RNA) where: Base-Base interactions energy: -29.941 where: short stacking energy: -27.778 Base-Backbone interact. energy: -0.000 local terms energy: -38.060034 where: bonds (distance) C4'-P energy: -8.145 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -57.812871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.812871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.812871 (E_RNA) where: Base-Base interactions energy: -24.737 where: short stacking energy: -21.876 Base-Backbone interact. energy: -0.021 local terms energy: -33.054882 where: bonds (distance) C4'-P energy: -8.145 bonds (distance) P-C4' energy: -9.333 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -54.302303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.302303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.302303 (E_RNA) where: Base-Base interactions energy: -18.232 where: short stacking energy: -18.232 Base-Backbone interact. energy: -1.375 local terms energy: -34.695348 where: bonds (distance) C4'-P energy: -7.524 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -9.559 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -49.578164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.578164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.578164 (E_RNA) where: Base-Base interactions energy: -22.120 where: short stacking energy: -18.596 Base-Backbone interact. energy: -0.153 local terms energy: -27.304746 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -3.906 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -116.613963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.613963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.613963 (E_RNA) where: Base-Base interactions energy: -73.735 where: short stacking energy: -32.247 Base-Backbone interact. energy: -0.119 local terms energy: -42.759571 where: bonds (distance) C4'-P energy: -9.042 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -8.994 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -112.719441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.719441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.719441 (E_RNA) where: Base-Base interactions energy: -75.764 where: short stacking energy: -31.234 Base-Backbone interact. energy: -0.018 local terms energy: -36.937215 where: bonds (distance) C4'-P energy: -8.572 bonds (distance) P-C4' energy: -6.766 flat angles C4'-P-C4' energy: -9.043 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -107.731259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.731259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.731259 (E_RNA) where: Base-Base interactions energy: -72.582 where: short stacking energy: -30.808 Base-Backbone interact. energy: -0.221 local terms energy: -34.928605 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -9.014 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -7.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -67.306535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.306535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.306535 (E_RNA) where: Base-Base interactions energy: -24.991 where: short stacking energy: -24.991 Base-Backbone interact. energy: -0.004 local terms energy: -42.311121 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -8.868 flat angles C4'-P-C4' energy: -9.675 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -11.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -96.654251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.654251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.654251 (E_RNA) where: Base-Base interactions energy: -59.733 where: short stacking energy: -22.170 Base-Backbone interact. energy: -0.002 local terms energy: -36.919107 where: bonds (distance) C4'-P energy: -8.898 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -8.348 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -109.440653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.440653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.440653 (E_RNA) where: Base-Base interactions energy: -68.616 where: short stacking energy: -29.966 Base-Backbone interact. energy: -0.098 local terms energy: -40.726622 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -9.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -62.411309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.411309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.411309 (E_RNA) where: Base-Base interactions energy: -25.821 where: short stacking energy: -18.226 Base-Backbone interact. energy: -0.100 local terms energy: -36.489819 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -1.569 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -67.782276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.782276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.782276 (E_RNA) where: Base-Base interactions energy: -31.756 where: short stacking energy: -21.709 Base-Backbone interact. energy: -0.620 local terms energy: -35.405700 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -7.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -48.627064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.627064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.627064 (E_RNA) where: Base-Base interactions energy: -17.414 where: short stacking energy: -17.414 Base-Backbone interact. energy: 0.920 local terms energy: -32.133396 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -46.077415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.077415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.077415 (E_RNA) where: Base-Base interactions energy: -12.225 where: short stacking energy: -12.225 Base-Backbone interact. energy: 0.378 local terms energy: -34.231266 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -9.664 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -112.826051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.826051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.826051 (E_RNA) where: Base-Base interactions energy: -72.636 where: short stacking energy: -32.514 Base-Backbone interact. energy: -0.001 local terms energy: -40.188507 where: bonds (distance) C4'-P energy: -9.510 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -5.973 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: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -113.839784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.839784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.839784 (E_RNA) where: Base-Base interactions energy: -72.091 where: short stacking energy: -33.030 Base-Backbone interact. energy: -0.187 local terms energy: -41.562090 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -5.418 tors. eta vs tors. theta energy: -7.710 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: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -118.538066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.538066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.538066 (E_RNA) where: Base-Base interactions energy: -76.581 where: short stacking energy: -33.799 Base-Backbone interact. energy: -0.018 local terms energy: -41.938409 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -11.603 flat angles C4'-P-C4' energy: -9.521 flat angles P-C4'-P energy: 0.590 tors. eta vs tors. theta energy: -11.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -67.683869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.683869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.683869 (E_RNA) where: Base-Base interactions energy: -28.463 where: short stacking energy: -21.340 Base-Backbone interact. energy: -0.005 local terms energy: -39.215848 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -6.469 flat angles C4'-P-C4' energy: -9.307 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -8.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -103.673771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.673771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.673771 (E_RNA) where: Base-Base interactions energy: -64.648 where: short stacking energy: -32.677 Base-Backbone interact. energy: -1.273 local terms energy: -37.752752 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -8.979 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -7.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -82.395450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.395450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.395450 (E_RNA) where: Base-Base interactions energy: -48.671 where: short stacking energy: -22.141 Base-Backbone interact. energy: -0.001 local terms energy: -33.723447 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -53.553007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.553007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.553007 (E_RNA) where: Base-Base interactions energy: -22.629 where: short stacking energy: -22.629 Base-Backbone interact. energy: 0.268 local terms energy: -31.192414 where: bonds (distance) C4'-P energy: -8.376 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -53.655581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.655581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.655581 (E_RNA) where: Base-Base interactions energy: -19.105 where: short stacking energy: -19.105 Base-Backbone interact. energy: -0.002 local terms energy: -34.547831 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -8.347 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -7.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -54.560518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.560518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.560518 (E_RNA) where: Base-Base interactions energy: -17.921 where: short stacking energy: -17.311 Base-Backbone interact. energy: 0.163 local terms energy: -36.801901 where: bonds (distance) C4'-P energy: -9.762 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -6.943 tors. eta vs tors. theta energy: -4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -50.200937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.200937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.200937 (E_RNA) where: Base-Base interactions energy: -21.412 where: short stacking energy: -16.279 Base-Backbone interact. energy: 1.883 local terms energy: -30.671647 where: bonds (distance) C4'-P energy: -8.596 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -112.983798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.983798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.983798 (E_RNA) where: Base-Base interactions energy: -72.562 where: short stacking energy: -33.675 Base-Backbone interact. energy: 0.471 local terms energy: -40.892421 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -7.836 tors. eta vs tors. theta energy: -7.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -116.070487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.070487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.070487 (E_RNA) where: Base-Base interactions energy: -81.977 where: short stacking energy: -33.461 Base-Backbone interact. energy: -0.000 local terms energy: -34.093237 where: bonds (distance) C4'-P energy: -5.093 bonds (distance) P-C4' energy: -11.339 flat angles C4'-P-C4' energy: -9.845 flat angles P-C4'-P energy: -1.142 tors. eta vs tors. theta energy: -6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -112.202554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.202554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.202554 (E_RNA) where: Base-Base interactions energy: -73.332 where: short stacking energy: -30.774 Base-Backbone interact. energy: -0.066 local terms energy: -38.805236 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -9.541 flat angles C4'-P-C4' energy: -9.587 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -106.736517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.736517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.736517 (E_RNA) where: Base-Base interactions energy: -68.188 where: short stacking energy: -31.994 Base-Backbone interact. energy: -0.204 local terms energy: -38.344515 where: bonds (distance) C4'-P energy: -5.652 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -9.537 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -7.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -65.803879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.803879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.803879 (E_RNA) where: Base-Base interactions energy: -33.539 where: short stacking energy: -24.937 Base-Backbone interact. energy: -0.000 local terms energy: -32.265206 where: bonds (distance) C4'-P energy: -10.533 bonds (distance) P-C4' energy: -7.532 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -62.776709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.776709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.776709 (E_RNA) where: Base-Base interactions energy: -28.601 where: short stacking energy: -20.200 Base-Backbone interact. energy: -0.182 local terms energy: -33.994597 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -7.802 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -54.579668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.579668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.579668 (E_RNA) where: Base-Base interactions energy: -19.468 where: short stacking energy: -11.804 Base-Backbone interact. energy: -0.126 local terms energy: -34.986030 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -58.169633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.169633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.169633 (E_RNA) where: Base-Base interactions energy: -29.505 where: short stacking energy: -18.747 Base-Backbone interact. energy: -0.120 local terms energy: -28.544211 where: bonds (distance) C4'-P energy: -9.218 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: 0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -53.327931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.327931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.327931 (E_RNA) where: Base-Base interactions energy: -21.144 where: short stacking energy: -19.322 Base-Backbone interact. energy: -0.084 local terms energy: -32.099586 where: bonds (distance) C4'-P energy: -7.628 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -7.321 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -47.908685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.908685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.908685 (E_RNA) where: Base-Base interactions energy: -15.898 where: short stacking energy: -14.876 Base-Backbone interact. energy: -0.101 local terms energy: -31.909939 where: bonds (distance) C4'-P energy: -7.103 bonds (distance) P-C4' energy: -10.097 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: 0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -114.500257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.500257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.500257 (E_RNA) where: Base-Base interactions energy: -76.708 where: short stacking energy: -32.771 Base-Backbone interact. energy: -0.121 local terms energy: -37.671503 where: bonds (distance) C4'-P energy: -7.721 bonds (distance) P-C4' energy: -9.724 flat angles C4'-P-C4' energy: -8.636 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -6.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -110.638864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.638864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.638864 (E_RNA) where: Base-Base interactions energy: -73.156 where: short stacking energy: -28.927 Base-Backbone interact. energy: -0.596 local terms energy: -36.886851 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -9.383 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: -4.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -113.199479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.199479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.199479 (E_RNA) where: Base-Base interactions energy: -74.058 where: short stacking energy: -27.904 Base-Backbone interact. energy: -0.000 local terms energy: -39.141423 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -108.918722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.918722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.918722 (E_RNA) where: Base-Base interactions energy: -80.004 where: short stacking energy: -30.946 Base-Backbone interact. energy: -0.155 local terms energy: -28.759687 where: bonds (distance) C4'-P energy: -7.573 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -8.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -61.482950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.482950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.482950 (E_RNA) where: Base-Base interactions energy: -24.257 where: short stacking energy: -21.795 Base-Backbone interact. energy: -0.460 local terms energy: -36.765918 where: bonds (distance) C4'-P energy: -7.242 bonds (distance) P-C4' energy: -8.561 flat angles C4'-P-C4' energy: -9.127 flat angles P-C4'-P energy: -7.415 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -62.864718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.864718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.864718 (E_RNA) where: Base-Base interactions energy: -29.618 where: short stacking energy: -25.439 Base-Backbone interact. energy: 0.987 local terms energy: -34.233518 where: bonds (distance) C4'-P energy: -3.504 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -9.639 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -53.290173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.290173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.290173 (E_RNA) where: Base-Base interactions energy: -17.666 where: short stacking energy: -12.610 Base-Backbone interact. energy: -0.103 local terms energy: -35.521677 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -1.406 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: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -46.633311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.633311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.633311 (E_RNA) where: Base-Base interactions energy: -15.124 where: short stacking energy: -15.124 Base-Backbone interact. energy: -0.087 local terms energy: -31.422103 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -6.697 flat angles C4'-P-C4' energy: -9.267 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -44.509784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.509784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.509784 (E_RNA) where: Base-Base interactions energy: -17.444 where: short stacking energy: -10.909 Base-Backbone interact. energy: -0.244 local terms energy: -26.822291 where: bonds (distance) C4'-P energy: -7.502 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: 0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -46.658328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.658328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.658328 (E_RNA) where: Base-Base interactions energy: -22.798 where: short stacking energy: -17.278 Base-Backbone interact. energy: -0.121 local terms energy: -23.739915 where: bonds (distance) C4'-P energy: -5.157 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: 0.529 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: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -118.809103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.809103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.809103 (E_RNA) where: Base-Base interactions energy: -76.838 where: short stacking energy: -33.787 Base-Backbone interact. energy: -0.000 local terms energy: -41.971084 where: bonds (distance) C4'-P energy: -8.926 bonds (distance) P-C4' energy: -10.634 flat angles C4'-P-C4' energy: -9.224 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -8.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -120.398327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.398327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.398327 (E_RNA) where: Base-Base interactions energy: -76.853 where: short stacking energy: -33.207 Base-Backbone interact. energy: -0.000 local terms energy: -43.544589 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -8.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -110.274794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.274794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.274794 (E_RNA) where: Base-Base interactions energy: -66.300 where: short stacking energy: -31.720 Base-Backbone interact. energy: -0.723 local terms energy: -43.251053 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -9.072 flat angles C4'-P-C4' energy: -8.866 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -9.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -107.274360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.274360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.274360 (E_RNA) where: Base-Base interactions energy: -66.190 where: short stacking energy: -28.355 Base-Backbone interact. energy: -1.719 local terms energy: -39.365402 where: bonds (distance) C4'-P energy: -7.019 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -7.469 tors. eta vs tors. theta energy: -5.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -58.209447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.209447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.209447 (E_RNA) where: Base-Base interactions energy: -24.363 where: short stacking energy: -24.363 Base-Backbone interact. energy: -0.015 local terms energy: -33.831821 where: bonds (distance) C4'-P energy: -8.915 bonds (distance) P-C4' energy: -8.173 flat angles C4'-P-C4' energy: -8.818 flat angles P-C4'-P energy: -1.750 tors. eta vs tors. theta energy: -6.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -59.201271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.201271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.201271 (E_RNA) where: Base-Base interactions energy: -24.343 where: short stacking energy: -17.988 Base-Backbone interact. energy: 0.398 local terms energy: -35.256191 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -7.192 flat angles C4'-P-C4' energy: -9.465 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -60.967636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.967636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.967636 (E_RNA) where: Base-Base interactions energy: -32.765 where: short stacking energy: -18.125 Base-Backbone interact. energy: -0.221 local terms energy: -27.981509 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -9.671 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: 0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -63.817252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.817252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.817252 (E_RNA) where: Base-Base interactions energy: -27.014 where: short stacking energy: -18.619 Base-Backbone interact. energy: 0.864 local terms energy: -37.666875 where: bonds (distance) C4'-P energy: -6.729 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -50.690239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.690239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.690239 (E_RNA) where: Base-Base interactions energy: -13.235 where: short stacking energy: -13.235 Base-Backbone interact. energy: -0.795 local terms energy: -36.660689 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -8.784 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -54.175231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.175231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.175231 (E_RNA) where: Base-Base interactions energy: -23.060 where: short stacking energy: -23.060 Base-Backbone interact. energy: -0.000 local terms energy: -31.115374 where: bonds (distance) C4'-P energy: -2.536 bonds (distance) P-C4' energy: -8.895 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -119.079381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.079381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.079381 (E_RNA) where: Base-Base interactions energy: -72.162 where: short stacking energy: -31.202 Base-Backbone interact. energy: -0.003 local terms energy: -46.913584 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -9.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -119.173689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.173689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.173689 (E_RNA) where: Base-Base interactions energy: -75.283 where: short stacking energy: -31.027 Base-Backbone interact. energy: -0.274 local terms energy: -43.617358 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -9.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -111.242026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.242026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.242026 (E_RNA) where: Base-Base interactions energy: -68.756 where: short stacking energy: -26.421 Base-Backbone interact. energy: -0.025 local terms energy: -42.460787 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -9.202 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -9.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -112.140198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.140198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.140198 (E_RNA) where: Base-Base interactions energy: -72.730 where: short stacking energy: -33.660 Base-Backbone interact. energy: -0.068 local terms energy: -39.342412 where: bonds (distance) C4'-P energy: -7.896 bonds (distance) P-C4' energy: -8.104 flat angles C4'-P-C4' energy: -10.157 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -62.399637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.399637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.399637 (E_RNA) where: Base-Base interactions energy: -21.873 where: short stacking energy: -21.873 Base-Backbone interact. energy: -0.026 local terms energy: -40.501014 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -9.791 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -9.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -54.327141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.327141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.327141 (E_RNA) where: Base-Base interactions energy: -23.016 where: short stacking energy: -17.372 Base-Backbone interact. energy: -0.146 local terms energy: -31.165247 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -10.630 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -57.512837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.512837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.512837 (E_RNA) where: Base-Base interactions energy: -24.527 where: short stacking energy: -21.913 Base-Backbone interact. energy: -0.081 local terms energy: -32.905125 where: bonds (distance) C4'-P energy: -7.188 bonds (distance) P-C4' energy: -8.062 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -7.731 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -54.298608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.298608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.298608 (E_RNA) where: Base-Base interactions energy: -19.449 where: short stacking energy: -13.862 Base-Backbone interact. energy: -0.041 local terms energy: -34.808818 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -9.386 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -60.475176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.475176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.475176 (E_RNA) where: Base-Base interactions energy: -24.653 where: short stacking energy: -19.221 Base-Backbone interact. energy: -0.583 local terms energy: -35.238652 where: bonds (distance) C4'-P energy: -8.694 bonds (distance) P-C4' energy: -8.945 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -48.525946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.525946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.525946 (E_RNA) where: Base-Base interactions energy: -15.250 where: short stacking energy: -15.250 Base-Backbone interact. energy: -0.128 local terms energy: -33.147591 where: bonds (distance) C4'-P energy: -4.104 bonds (distance) P-C4' energy: -10.594 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -116.145210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.145210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.145210 (E_RNA) where: Base-Base interactions energy: -81.096 where: short stacking energy: -30.321 Base-Backbone interact. energy: -0.018 local terms energy: -35.031452 where: bonds (distance) C4'-P energy: -3.821 bonds (distance) P-C4' energy: -9.214 flat angles C4'-P-C4' energy: -9.698 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -6.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -109.580148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.580148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.580148 (E_RNA) where: Base-Base interactions energy: -68.988 where: short stacking energy: -28.069 Base-Backbone interact. energy: -0.789 local terms energy: -39.802717 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.735 flat angles C4'-P-C4' energy: -10.284 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -7.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -116.241064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.241064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.241064 (E_RNA) where: Base-Base interactions energy: -76.014 where: short stacking energy: -30.952 Base-Backbone interact. energy: -0.101 local terms energy: -40.126266 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -11.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -110.748822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.748822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.748822 (E_RNA) where: Base-Base interactions energy: -73.309 where: short stacking energy: -32.961 Base-Backbone interact. energy: 0.192 local terms energy: -37.631881 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -7.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -69.707018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.707018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.707018 (E_RNA) where: Base-Base interactions energy: -30.132 where: short stacking energy: -30.132 Base-Backbone interact. energy: -0.000 local terms energy: -39.574505 where: bonds (distance) C4'-P energy: -8.145 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -9.981 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: -6.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -64.660471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.660471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.660471 (E_RNA) where: Base-Base interactions energy: -26.530 where: short stacking energy: -26.530 Base-Backbone interact. energy: -0.000 local terms energy: -38.130025 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -9.724 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: -6.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -61.095644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.095644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.095644 (E_RNA) where: Base-Base interactions energy: -29.757 where: short stacking energy: -29.757 Base-Backbone interact. energy: -0.006 local terms energy: -31.332814 where: bonds (distance) C4'-P energy: -6.468 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -59.378506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.378506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.378506 (E_RNA) where: Base-Base interactions energy: -28.060 where: short stacking energy: -13.002 Base-Backbone interact. energy: -0.030 local terms energy: -31.288010 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -3.052 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: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -52.066944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.066944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.066944 (E_RNA) where: Base-Base interactions energy: -18.570 where: short stacking energy: -18.570 Base-Backbone interact. energy: -0.003 local terms energy: -33.494054 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -9.535 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -2.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -51.160280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.160280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.160280 (E_RNA) where: Base-Base interactions energy: -17.072 where: short stacking energy: -17.072 Base-Backbone interact. energy: -0.007 local terms energy: -34.082000 where: bonds (distance) C4'-P energy: -9.257 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -4.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -112.341881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.341881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.341881 (E_RNA) where: Base-Base interactions energy: -70.591 where: short stacking energy: -33.411 Base-Backbone interact. energy: -0.933 local terms energy: -40.817844 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -6.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -119.603176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.603176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.603176 (E_RNA) where: Base-Base interactions energy: -81.136 where: short stacking energy: -31.818 Base-Backbone interact. energy: -0.545 local terms energy: -37.922630 where: bonds (distance) C4'-P energy: -8.243 bonds (distance) P-C4' energy: -9.907 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -6.671 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: 386 Temperature: 1.000000 Total energy: -118.801373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.801373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.801373 (E_RNA) where: Base-Base interactions energy: -83.637 where: short stacking energy: -34.167 Base-Backbone interact. energy: -0.005 local terms energy: -35.159649 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.855 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -2.237 tors. eta vs tors. theta energy: -10.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -105.294099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.294099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.294099 (E_RNA) where: Base-Base interactions energy: -73.034 where: short stacking energy: -21.037 Base-Backbone interact. energy: -0.594 local terms energy: -31.666407 where: bonds (distance) C4'-P energy: -6.182 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -10.031 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -56.765245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.765245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.765245 (E_RNA) where: Base-Base interactions energy: -17.451 where: short stacking energy: -17.451 Base-Backbone interact. energy: -0.000 local terms energy: -39.314254 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -9.288 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -59.186106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.186106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.186106 (E_RNA) where: Base-Base interactions energy: -23.994 where: short stacking energy: -23.541 Base-Backbone interact. energy: -0.005 local terms energy: -35.186908 where: bonds (distance) C4'-P energy: -6.795 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -5.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -49.927752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.927752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.927752 (E_RNA) where: Base-Base interactions energy: -19.615 where: short stacking energy: -19.615 Base-Backbone interact. energy: -0.100 local terms energy: -30.212944 where: bonds (distance) C4'-P energy: -8.500 bonds (distance) P-C4' energy: -6.212 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -2.588 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: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -65.149071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.149071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.149071 (E_RNA) where: Base-Base interactions energy: -30.794 where: short stacking energy: -20.512 Base-Backbone interact. energy: -0.066 local terms energy: -34.289319 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -9.827 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -58.259011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.259011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.259011 (E_RNA) where: Base-Base interactions energy: -30.885 where: short stacking energy: -15.515 Base-Backbone interact. energy: -0.211 local terms energy: -27.162858 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -6.970 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: 1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -55.389821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.389821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.389821 (E_RNA) where: Base-Base interactions energy: -23.290 where: short stacking energy: -23.302 Base-Backbone interact. energy: -0.173 local terms energy: -31.926686 where: bonds (distance) C4'-P energy: -7.011 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -3.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -116.270153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.270153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.270153 (E_RNA) where: Base-Base interactions energy: -75.940 where: short stacking energy: -34.143 Base-Backbone interact. energy: -0.002 local terms energy: -40.327919 where: bonds (distance) C4'-P energy: -8.808 bonds (distance) P-C4' energy: -8.841 flat angles C4'-P-C4' energy: -10.056 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -9.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -116.308773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.308773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.308773 (E_RNA) where: Base-Base interactions energy: -79.380 where: short stacking energy: -34.349 Base-Backbone interact. energy: -0.000 local terms energy: -36.928489 where: bonds (distance) C4'-P energy: -9.660 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -9.367 flat angles P-C4'-P energy: 0.186 tors. eta vs tors. theta energy: -8.327 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: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -106.956171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.956171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.956171 (E_RNA) where: Base-Base interactions energy: -70.000 where: short stacking energy: -26.683 Base-Backbone interact. energy: -0.004 local terms energy: -36.952043 where: bonds (distance) C4'-P energy: -8.521 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -9.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -71.479796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.479796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.479796 (E_RNA) where: Base-Base interactions energy: -32.393 where: short stacking energy: -25.462 Base-Backbone interact. energy: -0.006 local terms energy: -39.080312 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -9.929 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -7.827 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -109.750332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.750332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.750332 (E_RNA) where: Base-Base interactions energy: -67.279 where: short stacking energy: -28.525 Base-Backbone interact. energy: -0.008 local terms energy: -42.463005 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -8.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -54.872005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.872005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.872005 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -31.414923 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -1.006 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: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -52.067909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.067909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.067909 (E_RNA) where: Base-Base interactions energy: -20.234 where: short stacking energy: -16.533 Base-Backbone interact. energy: -0.283 local terms energy: -31.550213 where: bonds (distance) C4'-P energy: -7.499 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -7.261 tors. eta vs tors. theta energy: -0.448 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: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -57.608659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.608659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.608659 (E_RNA) where: Base-Base interactions energy: -22.005 where: short stacking energy: -22.005 Base-Backbone interact. energy: 0.726 local terms energy: -36.329709 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -6.674 tors. eta vs tors. theta energy: -5.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -54.793568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.793568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.793568 (E_RNA) where: Base-Base interactions energy: -28.248 where: short stacking energy: -17.633 Base-Backbone interact. energy: -0.057 local terms energy: -26.488606 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -51.631437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.631437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.631437 (E_RNA) where: Base-Base interactions energy: -25.583 where: short stacking energy: -16.081 Base-Backbone interact. energy: 0.486 local terms energy: -26.534650 where: bonds (distance) C4'-P energy: -9.102 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -9.509 flat angles P-C4'-P energy: -0.246 tors. eta vs tors. theta energy: 0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -112.339240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.339240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.339240 (E_RNA) where: Base-Base interactions energy: -71.618 where: short stacking energy: -28.775 Base-Backbone interact. energy: -0.718 local terms energy: -40.003314 where: bonds (distance) C4'-P energy: -9.387 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -5.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -115.873407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.873407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.873407 (E_RNA) where: Base-Base interactions energy: -69.213 where: short stacking energy: -33.566 Base-Backbone interact. energy: -0.060 local terms energy: -46.600174 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -9.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -63.593625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.593625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.593625 (E_RNA) where: Base-Base interactions energy: -25.672 where: short stacking energy: -25.672 Base-Backbone interact. energy: -0.001 local terms energy: -37.920357 where: bonds (distance) C4'-P energy: -8.782 bonds (distance) P-C4' energy: -7.642 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: -7.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -106.640332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.640332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.640332 (E_RNA) where: Base-Base interactions energy: -68.152 where: short stacking energy: -26.097 Base-Backbone interact. energy: -0.552 local terms energy: -37.936323 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.271 flat angles P-C4'-P energy: -7.911 tors. eta vs tors. theta energy: -6.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -107.947745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.947745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.947745 (E_RNA) where: Base-Base interactions energy: -75.505 where: short stacking energy: -29.653 Base-Backbone interact. energy: 0.485 local terms energy: -32.927787 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -6.926 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -63.717173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.717173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.717173 (E_RNA) where: Base-Base interactions energy: -25.760 where: short stacking energy: -19.784 Base-Backbone interact. energy: -0.002 local terms energy: -37.954409 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -9.485 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -2.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -53.522741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.522741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.522741 (E_RNA) where: Base-Base interactions energy: -18.433 where: short stacking energy: -18.433 Base-Backbone interact. energy: -0.024 local terms energy: -35.066267 where: bonds (distance) C4'-P energy: -8.917 bonds (distance) P-C4' energy: -9.217 flat angles C4'-P-C4' energy: -8.223 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -62.362984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.362984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.362984 (E_RNA) where: Base-Base interactions energy: -30.148 where: short stacking energy: -19.467 Base-Backbone interact. energy: -0.242 local terms energy: -31.972721 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -6.776 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -51.301592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.301592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.301592 (E_RNA) where: Base-Base interactions energy: -21.353 where: short stacking energy: -21.353 Base-Backbone interact. energy: -0.105 local terms energy: -29.843213 where: bonds (distance) C4'-P energy: -6.306 bonds (distance) P-C4' energy: -9.584 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -55.826544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.826544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.826544 (E_RNA) where: Base-Base interactions energy: -17.734 where: short stacking energy: -17.734 Base-Backbone interact. energy: -0.000 local terms energy: -38.092669 where: bonds (distance) C4'-P energy: -8.359 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.660 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -5.076 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: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -116.254034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.254034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.254034 (E_RNA) where: Base-Base interactions energy: -79.558 where: short stacking energy: -28.295 Base-Backbone interact. energy: -0.111 local terms energy: -36.584665 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -5.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -116.524035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.524035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.524035 (E_RNA) where: Base-Base interactions energy: -78.443 where: short stacking energy: -30.313 Base-Backbone interact. energy: -0.002 local terms energy: -38.079615 where: bonds (distance) C4'-P energy: -9.444 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -69.049191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.049191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.049191 (E_RNA) where: Base-Base interactions energy: -34.990 where: short stacking energy: -8.329 Base-Backbone interact. energy: 1.414 local terms energy: -35.472939 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -7.990 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -0.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -109.441792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.441792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.441792 (E_RNA) where: Base-Base interactions energy: -73.529 where: short stacking energy: -30.356 Base-Backbone interact. energy: -0.123 local terms energy: -35.789855 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -8.252 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -7.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -103.694812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.694812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.694812 (E_RNA) where: Base-Base interactions energy: -66.266 where: short stacking energy: -27.697 Base-Backbone interact. energy: -0.130 local terms energy: -37.298748 where: bonds (distance) C4'-P energy: -6.895 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -60.401638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.401638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.401638 (E_RNA) where: Base-Base interactions energy: -28.356 where: short stacking energy: -24.045 Base-Backbone interact. energy: 0.810 local terms energy: -32.855522 where: bonds (distance) C4'-P energy: -6.008 bonds (distance) P-C4' energy: -9.177 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -7.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -53.466192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.466192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.466192 (E_RNA) where: Base-Base interactions energy: -17.317 where: short stacking energy: -14.720 Base-Backbone interact. energy: -0.095 local terms energy: -36.053855 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -54.080556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.080556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.080556 (E_RNA) where: Base-Base interactions energy: -20.191 where: short stacking energy: -15.388 Base-Backbone interact. energy: 0.121 local terms energy: -34.010507 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -6.638 tors. eta vs tors. theta energy: -1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -52.260973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.260973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.260973 (E_RNA) where: Base-Base interactions energy: -19.874 where: short stacking energy: -19.236 Base-Backbone interact. energy: -0.028 local terms energy: -32.359437 where: bonds (distance) C4'-P energy: -8.935 bonds (distance) P-C4' energy: -7.837 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -1.894 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: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -50.098149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.098149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.098149 (E_RNA) where: Base-Base interactions energy: -23.802 where: short stacking energy: -20.398 Base-Backbone interact. energy: 0.672 local terms energy: -26.968283 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -119.025263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.025263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.025263 (E_RNA) where: Base-Base interactions energy: -82.023 where: short stacking energy: -27.032 Base-Backbone interact. energy: -0.082 local terms energy: -36.919581 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -9.851 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -2.934 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: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -115.515076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.515076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.515076 (E_RNA) where: Base-Base interactions energy: -75.494 where: short stacking energy: -31.259 Base-Backbone interact. energy: -0.077 local terms energy: -39.944083 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -8.967 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -8.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -124.470596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.470596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.470596 (E_RNA) where: Base-Base interactions energy: -81.630 where: short stacking energy: -35.100 Base-Backbone interact. energy: -0.239 local terms energy: -42.601742 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -9.290 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -9.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -64.883308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.883308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.883308 (E_RNA) where: Base-Base interactions energy: -24.461 where: short stacking energy: -24.461 Base-Backbone interact. energy: -0.022 local terms energy: -40.399947 where: bonds (distance) C4'-P energy: -8.422 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -6.257 tors. eta vs tors. theta energy: -8.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -104.911433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.911433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.911433 (E_RNA) where: Base-Base interactions energy: -69.203 where: short stacking energy: -25.424 Base-Backbone interact. energy: -0.121 local terms energy: -35.587235 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -7.412 flat angles C4'-P-C4' energy: -9.579 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -4.281 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: 390 Temperature: 1.150000 Total energy: -55.432541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.432541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.432541 (E_RNA) where: Base-Base interactions energy: -24.927 where: short stacking energy: -21.559 Base-Backbone interact. energy: -0.236 local terms energy: -30.268825 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -7.924 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -99.578467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.578467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.578467 (E_RNA) where: Base-Base interactions energy: -62.002 where: short stacking energy: -25.410 Base-Backbone interact. energy: -0.571 local terms energy: -37.005007 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -8.334 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -9.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -59.568245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.568245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.568245 (E_RNA) where: Base-Base interactions energy: -23.633 where: short stacking energy: -17.204 Base-Backbone interact. energy: -0.793 local terms energy: -35.142705 where: bonds (distance) C4'-P energy: -8.045 bonds (distance) P-C4' energy: -9.708 flat angles C4'-P-C4' energy: -8.893 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -57.820977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.820977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.820977 (E_RNA) where: Base-Base interactions energy: -24.997 where: short stacking energy: -20.531 Base-Backbone interact. energy: -0.092 local terms energy: -32.732119 where: bonds (distance) C4'-P energy: -8.944 bonds (distance) P-C4' energy: -7.254 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -4.489 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: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -44.410121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.410121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.410121 (E_RNA) where: Base-Base interactions energy: -24.451 where: short stacking energy: -14.198 Base-Backbone interact. energy: -0.114 local terms energy: -19.844855 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -5.911 flat angles C4'-P-C4' energy: -1.504 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: 0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -118.214953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.214953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.214953 (E_RNA) where: Base-Base interactions energy: -81.323 where: short stacking energy: -32.283 Base-Backbone interact. energy: -0.295 local terms energy: -36.597143 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -9.493 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -5.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -116.976225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.976225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.976225 (E_RNA) where: Base-Base interactions energy: -76.192 where: short stacking energy: -32.362 Base-Backbone interact. energy: -0.000 local terms energy: -40.783592 where: bonds (distance) C4'-P energy: -10.069 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -6.914 tors. eta vs tors. theta energy: -10.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -114.793305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.793305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.793305 (E_RNA) where: Base-Base interactions energy: -82.099 where: short stacking energy: -30.901 Base-Backbone interact. energy: -0.041 local terms energy: -32.652852 where: bonds (distance) C4'-P energy: -5.638 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -9.225 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -116.567856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.567856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.567856 (E_RNA) where: Base-Base interactions energy: -73.669 where: short stacking energy: -34.281 Base-Backbone interact. energy: -0.230 local terms energy: -42.668527 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -9.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -65.907569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.907569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.907569 (E_RNA) where: Base-Base interactions energy: -31.609 where: short stacking energy: -31.609 Base-Backbone interact. energy: -0.002 local terms energy: -34.296897 where: bonds (distance) C4'-P energy: -3.430 bonds (distance) P-C4' energy: -11.597 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -7.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -104.013148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.013148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.013148 (E_RNA) where: Base-Base interactions energy: -66.930 where: short stacking energy: -29.807 Base-Backbone interact. energy: -1.437 local terms energy: -35.645734 where: bonds (distance) C4'-P energy: -6.581 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -8.879 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -9.272 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: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -56.377844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.377844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.377844 (E_RNA) where: Base-Base interactions energy: -15.948 where: short stacking energy: -15.948 Base-Backbone interact. energy: -0.054 local terms energy: -40.375231 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -58.543611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.543611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.543611 (E_RNA) where: Base-Base interactions energy: -32.901 where: short stacking energy: -16.929 Base-Backbone interact. energy: -0.090 local terms energy: -25.552611 where: bonds (distance) C4'-P energy: 0.012 bonds (distance) P-C4' energy: -11.336 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -57.116499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.116499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.116499 (E_RNA) where: Base-Base interactions energy: -27.554 where: short stacking energy: -21.144 Base-Backbone interact. energy: 0.787 local terms energy: -30.349957 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -43.177691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.177691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.177691 (E_RNA) where: Base-Base interactions energy: -13.613 where: short stacking energy: -13.613 Base-Backbone interact. energy: 0.069 local terms energy: -29.633695 where: bonds (distance) C4'-P energy: -6.476 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -2.365 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -128.375295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.375295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.375295 (E_RNA) where: Base-Base interactions energy: -86.651 where: short stacking energy: -28.762 Base-Backbone interact. energy: -0.013 local terms energy: -41.712182 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -9.668 flat angles P-C4'-P energy: -1.479 tors. eta vs tors. theta energy: -9.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -115.960840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.960840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.960840 (E_RNA) where: Base-Base interactions energy: -73.541 where: short stacking energy: -33.709 Base-Backbone interact. energy: -0.001 local terms energy: -42.419231 where: bonds (distance) C4'-P energy: -8.616 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: -7.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -115.603002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.603002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.603002 (E_RNA) where: Base-Base interactions energy: -73.488 where: short stacking energy: -33.916 Base-Backbone interact. energy: -0.034 local terms energy: -42.081075 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -7.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -124.084902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.084902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.084902 (E_RNA) where: Base-Base interactions energy: -86.152 where: short stacking energy: -33.939 Base-Backbone interact. energy: -0.385 local terms energy: -37.547676 where: bonds (distance) C4'-P energy: -7.342 bonds (distance) P-C4' energy: -10.352 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -10.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -105.739872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.739872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.739872 (E_RNA) where: Base-Base interactions energy: -68.485 where: short stacking energy: -28.500 Base-Backbone interact. energy: -0.001 local terms energy: -37.254229 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -8.477 flat angles C4'-P-C4' energy: -9.334 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -6.386 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: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -71.863236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.863236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.863236 (E_RNA) where: Base-Base interactions energy: -29.738 where: short stacking energy: -29.738 Base-Backbone interact. energy: -0.036 local terms energy: -42.088895 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -8.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -63.560323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.560323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.560323 (E_RNA) where: Base-Base interactions energy: -24.459 where: short stacking energy: -24.459 Base-Backbone interact. energy: -0.001 local terms energy: -39.100054 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -6.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -56.801700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.801700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.801700 (E_RNA) where: Base-Base interactions energy: -16.083 where: short stacking energy: -14.940 Base-Backbone interact. energy: -0.169 local terms energy: -40.550067 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -10.230 flat angles C4'-P-C4' energy: -9.301 flat angles P-C4'-P energy: -6.446 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -42.434853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.434853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.434853 (E_RNA) where: Base-Base interactions energy: -13.363 where: short stacking energy: -10.789 Base-Backbone interact. energy: -0.165 local terms energy: -28.906941 where: bonds (distance) C4'-P energy: -8.542 bonds (distance) P-C4' energy: -10.331 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -52.569102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.569102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.569102 (E_RNA) where: Base-Base interactions energy: -16.625 where: short stacking energy: -16.625 Base-Backbone interact. energy: -0.001 local terms energy: -35.943780 where: bonds (distance) C4'-P energy: -8.782 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -4.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -115.317297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.317297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.317297 (E_RNA) where: Base-Base interactions energy: -71.287 where: short stacking energy: -32.980 Base-Backbone interact. energy: -0.135 local terms energy: -43.894886 where: bonds (distance) C4'-P energy: -8.595 bonds (distance) P-C4' energy: -8.953 flat angles C4'-P-C4' energy: -9.775 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: -9.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -118.094238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.094238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.094238 (E_RNA) where: Base-Base interactions energy: -75.477 where: short stacking energy: -33.776 Base-Backbone interact. energy: -0.241 local terms energy: -42.375966 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -10.118 flat angles C4'-P-C4' energy: -9.072 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -8.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -112.281024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.281024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.281024 (E_RNA) where: Base-Base interactions energy: -66.659 where: short stacking energy: -30.141 Base-Backbone interact. energy: -0.451 local terms energy: -45.171011 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -9.886 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -6.974 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: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -115.965914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.965914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.965914 (E_RNA) where: Base-Base interactions energy: -74.748 where: short stacking energy: -31.879 Base-Backbone interact. energy: -1.083 local terms energy: -40.134872 where: bonds (distance) C4'-P energy: -7.366 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -8.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -112.101744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.101744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.101744 (E_RNA) where: Base-Base interactions energy: -78.858 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.065 local terms energy: -33.178252 where: bonds (distance) C4'-P energy: -8.385 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -51.955377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.955377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.955377 (E_RNA) where: Base-Base interactions energy: -22.337 where: short stacking energy: -15.334 Base-Backbone interact. energy: -0.043 local terms energy: -29.575381 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: 2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -57.672548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.672548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.672548 (E_RNA) where: Base-Base interactions energy: -23.444 where: short stacking energy: -14.976 Base-Backbone interact. energy: -0.823 local terms energy: -33.405844 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -8.012 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -51.553161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.553161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.553161 (E_RNA) where: Base-Base interactions energy: -13.182 where: short stacking energy: -13.182 Base-Backbone interact. energy: -0.021 local terms energy: -38.350054 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -9.907 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -53.713343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.713343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.713343 (E_RNA) where: Base-Base interactions energy: -22.181 where: short stacking energy: -20.034 Base-Backbone interact. energy: -0.004 local terms energy: -31.527890 where: bonds (distance) C4'-P energy: -5.284 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -48.001159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.001159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.001159 (E_RNA) where: Base-Base interactions energy: -20.507 where: short stacking energy: -20.507 Base-Backbone interact. energy: -0.030 local terms energy: -27.464561 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.575 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: 0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -117.244652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.244652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.244652 (E_RNA) where: Base-Base interactions energy: -80.454 where: short stacking energy: -30.305 Base-Backbone interact. energy: -0.916 local terms energy: -35.875055 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -8.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -114.503968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.503968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.503968 (E_RNA) where: Base-Base interactions energy: -73.640 where: short stacking energy: -29.934 Base-Backbone interact. energy: -0.090 local terms energy: -40.773586 where: bonds (distance) C4'-P energy: -9.263 bonds (distance) P-C4' energy: -9.622 flat angles C4'-P-C4' energy: -9.625 flat angles P-C4'-P energy: -2.044 tors. eta vs tors. theta energy: -10.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -107.132787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.132787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.132787 (E_RNA) where: Base-Base interactions energy: -62.467 where: short stacking energy: -24.611 Base-Backbone interact. energy: -0.759 local terms energy: -43.906412 where: bonds (distance) C4'-P energy: -7.788 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -9.962 flat angles P-C4'-P energy: -7.613 tors. eta vs tors. theta energy: -7.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -110.590647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.590647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.590647 (E_RNA) where: Base-Base interactions energy: -67.080 where: short stacking energy: -28.840 Base-Backbone interact. energy: -2.333 local terms energy: -41.177320 where: bonds (distance) C4'-P energy: -7.963 bonds (distance) P-C4' energy: -9.310 flat angles C4'-P-C4' energy: -9.484 flat angles P-C4'-P energy: -6.182 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: 5, replica: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -111.723460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.723460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.723460 (E_RNA) where: Base-Base interactions energy: -72.946 where: short stacking energy: -32.414 Base-Backbone interact. energy: -0.061 local terms energy: -38.717075 where: bonds (distance) C4'-P energy: -8.666 bonds (distance) P-C4' energy: -8.144 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -8.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -59.408861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.408861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.408861 (E_RNA) where: Base-Base interactions energy: -28.120 where: short stacking energy: -21.822 Base-Backbone interact. energy: -0.107 local terms energy: -31.181896 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -4.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -55.631462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.631462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.631462 (E_RNA) where: Base-Base interactions energy: -26.651 where: short stacking energy: -14.432 Base-Backbone interact. energy: -0.130 local terms energy: -28.850542 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -2.183 tors. eta vs tors. theta energy: -1.074 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: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -48.737100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.737100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.737100 (E_RNA) where: Base-Base interactions energy: -16.749 where: short stacking energy: -16.749 Base-Backbone interact. energy: -0.014 local terms energy: -31.973923 where: bonds (distance) C4'-P energy: -6.083 bonds (distance) P-C4' energy: -8.030 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -6.932 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: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -58.222225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.222225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.222225 (E_RNA) where: Base-Base interactions energy: -34.899 where: short stacking energy: -18.848 Base-Backbone interact. energy: -0.045 local terms energy: -23.278426 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -52.556074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.556074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.556074 (E_RNA) where: Base-Base interactions energy: -27.003 where: short stacking energy: -25.911 Base-Backbone interact. energy: -0.002 local terms energy: -25.551012 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -122.998521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.998521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.998521 (E_RNA) where: Base-Base interactions energy: -84.028 where: short stacking energy: -36.387 Base-Backbone interact. energy: -0.001 local terms energy: -38.968797 where: bonds (distance) C4'-P energy: -9.324 bonds (distance) P-C4' energy: -8.753 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -8.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -113.070486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.070486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.070486 (E_RNA) where: Base-Base interactions energy: -76.527 where: short stacking energy: -35.355 Base-Backbone interact. energy: -0.221 local terms energy: -36.321851 where: bonds (distance) C4'-P energy: -8.066 bonds (distance) P-C4' energy: -8.985 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -8.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -109.354015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.354015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.354015 (E_RNA) where: Base-Base interactions energy: -73.078 where: short stacking energy: -30.793 Base-Backbone interact. energy: -0.904 local terms energy: -35.371950 where: bonds (distance) C4'-P energy: -8.100 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -6.382 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: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -105.064196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.064196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.064196 (E_RNA) where: Base-Base interactions energy: -68.022 where: short stacking energy: -26.441 Base-Backbone interact. energy: -0.069 local terms energy: -36.972591 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -108.239504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.239504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.239504 (E_RNA) where: Base-Base interactions energy: -80.450 where: short stacking energy: -33.051 Base-Backbone interact. energy: -0.018 local terms energy: -27.771851 where: bonds (distance) C4'-P energy: -6.795 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -8.303 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: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -57.117013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.117013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.117013 (E_RNA) where: Base-Base interactions energy: -22.086 where: short stacking energy: -22.086 Base-Backbone interact. energy: -0.103 local terms energy: -34.927628 where: bonds (distance) C4'-P energy: -8.562 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -9.913 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -65.737360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.737360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.737360 (E_RNA) where: Base-Base interactions energy: -26.618 where: short stacking energy: -26.618 Base-Backbone interact. energy: -0.000 local terms energy: -39.119354 where: bonds (distance) C4'-P energy: -9.257 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -58.691310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.691310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.691310 (E_RNA) where: Base-Base interactions energy: -23.222 where: short stacking energy: -13.250 Base-Backbone interact. energy: -0.038 local terms energy: -35.431194 where: bonds (distance) C4'-P energy: -8.268 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -2.597 tors. eta vs tors. theta energy: -7.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -57.242073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.242073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.242073 (E_RNA) where: Base-Base interactions energy: -25.967 where: short stacking energy: -16.605 Base-Backbone interact. energy: -0.188 local terms energy: -31.087257 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -8.723 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -45.171047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.171047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.171047 (E_RNA) where: Base-Base interactions energy: -14.712 where: short stacking energy: -10.542 Base-Backbone interact. energy: -0.009 local terms energy: -30.450352 where: bonds (distance) C4'-P energy: -8.563 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -9.685 flat angles P-C4'-P energy: -1.845 tors. eta vs tors. theta energy: -1.009 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: 1 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -118.132080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.132080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.132080 (E_RNA) where: Base-Base interactions energy: -74.008 where: short stacking energy: -31.424 Base-Backbone interact. energy: -0.660 local terms energy: -43.463383 where: bonds (distance) C4'-P energy: -9.229 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -7.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -123.289569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.289569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.289569 (E_RNA) where: Base-Base interactions energy: -81.854 where: short stacking energy: -33.307 Base-Backbone interact. energy: -0.100 local terms energy: -41.335790 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -10.349 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: -10.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -114.260663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.260663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.260663 (E_RNA) where: Base-Base interactions energy: -72.656 where: short stacking energy: -35.313 Base-Backbone interact. energy: -0.301 local terms energy: -41.304046 where: bonds (distance) C4'-P energy: -8.956 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -9.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -109.253640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.253640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.253640 (E_RNA) where: Base-Base interactions energy: -72.574 where: short stacking energy: -26.965 Base-Backbone interact. energy: -1.131 local terms energy: -35.549063 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -5.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -113.537465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.537465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.537465 (E_RNA) where: Base-Base interactions energy: -78.769 where: short stacking energy: -31.678 Base-Backbone interact. energy: -0.008 local terms energy: -34.759893 where: bonds (distance) C4'-P energy: -4.584 bonds (distance) P-C4' energy: -11.614 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -2.438 tors. eta vs tors. theta energy: -8.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -61.314338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.314338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.314338 (E_RNA) where: Base-Base interactions energy: -33.798 where: short stacking energy: -13.677 Base-Backbone interact. energy: -0.069 local terms energy: -27.446664 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: 0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -57.126382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.126382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.126382 (E_RNA) where: Base-Base interactions energy: -25.036 where: short stacking energy: -25.036 Base-Backbone interact. energy: -0.003 local terms energy: -32.087172 where: bonds (distance) C4'-P energy: -8.340 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -3.137 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: 8, replica: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -61.691216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.691216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.691216 (E_RNA) where: Base-Base interactions energy: -33.891 where: short stacking energy: -19.801 Base-Backbone interact. energy: -0.028 local terms energy: -27.772653 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -1.720 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -47.965028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.965028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.965028 (E_RNA) where: Base-Base interactions energy: -14.432 where: short stacking energy: -14.432 Base-Backbone interact. energy: -0.199 local terms energy: -33.334733 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -3.136 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: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -52.923423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.923423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.923423 (E_RNA) where: Base-Base interactions energy: -23.289 where: short stacking energy: -22.080 Base-Backbone interact. energy: -0.034 local terms energy: -29.600608 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -1.058 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: 1 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -116.090393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.090393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.090393 (E_RNA) where: Base-Base interactions energy: -69.236 where: short stacking energy: -29.093 Base-Backbone interact. energy: -0.671 local terms energy: -46.183185 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -10.833 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -6.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -113.944063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.944063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.944063 (E_RNA) where: Base-Base interactions energy: -70.858 where: short stacking energy: -29.667 Base-Backbone interact. energy: -0.410 local terms energy: -42.675963 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -7.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -118.465558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.465558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.465558 (E_RNA) where: Base-Base interactions energy: -80.692 where: short stacking energy: -31.755 Base-Backbone interact. energy: -0.022 local terms energy: -37.750928 where: bonds (distance) C4'-P energy: -9.258 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -7.696 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: 397 Temperature: 1.050000 Total energy: -110.871714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.871714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.871714 (E_RNA) where: Base-Base interactions energy: -73.823 where: short stacking energy: -25.143 Base-Backbone interact. energy: -0.689 local terms energy: -36.360277 where: bonds (distance) C4'-P energy: -6.241 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -2.321 tors. eta vs tors. theta energy: -8.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -109.402568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.402568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.402568 (E_RNA) where: Base-Base interactions energy: -69.024 where: short stacking energy: -31.311 Base-Backbone interact. energy: -0.017 local terms energy: -40.362252 where: bonds (distance) C4'-P energy: -6.357 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -7.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -59.799562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.799562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.799562 (E_RNA) where: Base-Base interactions energy: -20.038 where: short stacking energy: -20.038 Base-Backbone interact. energy: -0.055 local terms energy: -39.706167 where: bonds (distance) C4'-P energy: -8.029 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -7.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -64.048350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.048350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.048350 (E_RNA) where: Base-Base interactions energy: -26.200 where: short stacking energy: -25.474 Base-Backbone interact. energy: -0.031 local terms energy: -37.818138 where: bonds (distance) C4'-P energy: -6.559 bonds (distance) P-C4' energy: -9.239 flat angles C4'-P-C4' energy: -9.786 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -55.570082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.570082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.570082 (E_RNA) where: Base-Base interactions energy: -20.402 where: short stacking energy: -20.402 Base-Backbone interact. energy: -0.080 local terms energy: -35.087575 where: bonds (distance) C4'-P energy: -2.820 bonds (distance) P-C4' energy: -10.208 flat angles C4'-P-C4' energy: -9.751 flat angles P-C4'-P energy: -5.263 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: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -53.490198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.490198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.490198 (E_RNA) where: Base-Base interactions energy: -18.590 where: short stacking energy: -18.590 Base-Backbone interact. energy: -1.024 local terms energy: -33.876168 where: bonds (distance) C4'-P energy: -6.617 bonds (distance) P-C4' energy: -9.746 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -55.017922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.017922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.017922 (E_RNA) where: Base-Base interactions energy: -23.248 where: short stacking energy: -12.495 Base-Backbone interact. energy: -0.047 local terms energy: -31.722585 where: bonds (distance) C4'-P energy: -6.911 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -9.606 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -118.497129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.497129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.497129 (E_RNA) where: Base-Base interactions energy: -75.525 where: short stacking energy: -27.474 Base-Backbone interact. energy: -0.000 local terms energy: -42.972073 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -9.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -115.733554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.733554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.733554 (E_RNA) where: Base-Base interactions energy: -75.269 where: short stacking energy: -34.613 Base-Backbone interact. energy: -0.925 local terms energy: -39.540423 where: bonds (distance) C4'-P energy: -9.771 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -8.452 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -8.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -120.954588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.954588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.954588 (E_RNA) where: Base-Base interactions energy: -81.325 where: short stacking energy: -34.580 Base-Backbone interact. energy: -0.001 local terms energy: -39.628713 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -8.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -104.068249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.068249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.068249 (E_RNA) where: Base-Base interactions energy: -66.242 where: short stacking energy: -27.618 Base-Backbone interact. energy: -0.396 local terms energy: -37.430456 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -9.242 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -7.946 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -111.079798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.079798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.079798 (E_RNA) where: Base-Base interactions energy: -77.428 where: short stacking energy: -32.826 Base-Backbone interact. energy: -0.002 local terms energy: -33.649396 where: bonds (distance) C4'-P energy: -7.583 bonds (distance) P-C4' energy: -7.092 flat angles C4'-P-C4' energy: -10.014 flat angles P-C4'-P energy: -0.735 tors. eta vs tors. theta energy: -8.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -49.324792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.324792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.324792 (E_RNA) where: Base-Base interactions energy: -18.858 where: short stacking energy: -18.459 Base-Backbone interact. energy: 0.569 local terms energy: -31.035443 where: bonds (distance) C4'-P energy: -9.150 bonds (distance) P-C4' energy: -5.645 flat angles C4'-P-C4' energy: -8.685 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -52.703649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.703649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.703649 (E_RNA) where: Base-Base interactions energy: -20.401 where: short stacking energy: -20.401 Base-Backbone interact. energy: -0.083 local terms energy: -32.219676 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -9.333 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -54.508449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.508449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.508449 (E_RNA) where: Base-Base interactions energy: -18.354 where: short stacking energy: -18.354 Base-Backbone interact. energy: -0.041 local terms energy: -36.114249 where: bonds (distance) C4'-P energy: -8.802 bonds (distance) P-C4' energy: -8.583 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -4.762 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: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -57.219330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.219330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.219330 (E_RNA) where: Base-Base interactions energy: -29.062 where: short stacking energy: -12.351 Base-Backbone interact. energy: -0.311 local terms energy: -27.846260 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.334 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -45.862136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.862136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.862136 (E_RNA) where: Base-Base interactions energy: -25.513 where: short stacking energy: -17.049 Base-Backbone interact. energy: -0.201 local terms energy: -20.147345 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -7.831 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -0.673 tors. eta vs tors. theta energy: 0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -115.743596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.743596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.743596 (E_RNA) where: Base-Base interactions energy: -73.845 where: short stacking energy: -30.608 Base-Backbone interact. energy: -0.000 local terms energy: -41.898027 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -9.211 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -10.102 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: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -112.874562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.874562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.874562 (E_RNA) where: Base-Base interactions energy: -69.257 where: short stacking energy: -30.853 Base-Backbone interact. energy: -0.365 local terms energy: -43.252740 where: bonds (distance) C4'-P energy: -8.377 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -11.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -114.546508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.546508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.546508 (E_RNA) where: Base-Base interactions energy: -68.794 where: short stacking energy: -30.813 Base-Backbone interact. energy: -0.102 local terms energy: -45.650403 where: bonds (distance) C4'-P energy: -8.286 bonds (distance) P-C4' energy: -10.458 flat angles C4'-P-C4' energy: -9.842 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -8.013 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: 4, replica: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -111.945601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.945601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.945601 (E_RNA) where: Base-Base interactions energy: -74.536 where: short stacking energy: -32.848 Base-Backbone interact. energy: 0.320 local terms energy: -37.729178 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -8.868 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -8.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -108.558835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.558835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.558835 (E_RNA) where: Base-Base interactions energy: -76.677 where: short stacking energy: -30.685 Base-Backbone interact. energy: -0.577 local terms energy: -31.305241 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -10.299 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -2.130 tors. eta vs tors. theta energy: -6.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -55.948462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.948462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.948462 (E_RNA) where: Base-Base interactions energy: -26.576 where: short stacking energy: -22.274 Base-Backbone interact. energy: -0.000 local terms energy: -29.372152 where: bonds (distance) C4'-P energy: -3.582 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -51.555543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.555543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.555543 (E_RNA) where: Base-Base interactions energy: -14.958 where: short stacking energy: -14.615 Base-Backbone interact. energy: -0.021 local terms energy: -36.576657 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -10.303 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -63.184111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.184111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.184111 (E_RNA) where: Base-Base interactions energy: -30.896 where: short stacking energy: -30.777 Base-Backbone interact. energy: -0.028 local terms energy: -32.259756 where: bonds (distance) C4'-P energy: -6.587 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -7.799 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: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -56.395147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.395147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.395147 (E_RNA) where: Base-Base interactions energy: -24.279 where: short stacking energy: -24.279 Base-Backbone interact. energy: -0.000 local terms energy: -32.115654 where: bonds (distance) C4'-P energy: -7.883 bonds (distance) P-C4' energy: -7.525 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -53.911003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.911003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.911003 (E_RNA) where: Base-Base interactions energy: -28.528 where: short stacking energy: -8.592 Base-Backbone interact. energy: -0.109 local terms energy: -25.273457 where: bonds (distance) C4'-P energy: -6.158 bonds (distance) P-C4' energy: -10.138 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -1.448 tors. eta vs tors. theta energy: 0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -115.884978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.884978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.884978 (E_RNA) where: Base-Base interactions energy: -71.535 where: short stacking energy: -29.563 Base-Backbone interact. energy: -0.001 local terms energy: -44.348707 where: bonds (distance) C4'-P energy: -8.694 bonds (distance) P-C4' energy: -11.092 flat angles C4'-P-C4' energy: -9.050 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -8.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -120.365217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.365217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.365217 (E_RNA) where: Base-Base interactions energy: -76.654 where: short stacking energy: -34.750 Base-Backbone interact. energy: -1.366 local terms energy: -42.344895 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -9.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -112.401846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.401846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.401846 (E_RNA) where: Base-Base interactions energy: -67.596 where: short stacking energy: -27.735 Base-Backbone interact. energy: -0.005 local terms energy: -44.800739 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -9.045 flat angles P-C4'-P energy: -5.955 tors. eta vs tors. theta energy: -8.542 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: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -103.744809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.744809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.744809 (E_RNA) where: Base-Base interactions energy: -66.775 where: short stacking energy: -32.386 Base-Backbone interact. energy: 0.039 local terms energy: -37.008974 where: bonds (distance) C4'-P energy: -7.910 bonds (distance) P-C4' energy: -10.150 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -6.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -107.314547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.314547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.314547 (E_RNA) where: Base-Base interactions energy: -68.283 where: short stacking energy: -30.626 Base-Backbone interact. energy: -0.178 local terms energy: -38.853664 where: bonds (distance) C4'-P energy: -8.994 bonds (distance) P-C4' energy: -9.260 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -9.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -59.010465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.010465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.010465 (E_RNA) where: Base-Base interactions energy: -21.067 where: short stacking energy: -21.067 Base-Backbone interact. energy: -0.015 local terms energy: -37.928583 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -9.513 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -54.043577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.043577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.043577 (E_RNA) where: Base-Base interactions energy: -27.716 where: short stacking energy: -20.769 Base-Backbone interact. energy: -0.212 local terms energy: -26.115450 where: bonds (distance) C4'-P energy: 0.582 bonds (distance) P-C4' energy: -6.548 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -53.716885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.716885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.716885 (E_RNA) where: Base-Base interactions energy: -18.075 where: short stacking energy: -13.374 Base-Backbone interact. energy: -0.259 local terms energy: -35.383469 where: bonds (distance) C4'-P energy: -8.492 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -10.042 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -48.448789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.448789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.448789 (E_RNA) where: Base-Base interactions energy: -18.641 where: short stacking energy: -18.641 Base-Backbone interact. energy: -0.042 local terms energy: -29.765198 where: bonds (distance) C4'-P energy: -7.287 bonds (distance) P-C4' energy: -5.746 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -49.504691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.504691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.504691 (E_RNA) where: Base-Base interactions energy: -21.950 where: short stacking energy: -16.844 Base-Backbone interact. energy: -0.103 local terms energy: -27.452566 where: bonds (distance) C4'-P energy: -7.659 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -114.282927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.282927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.282927 (E_RNA) where: Base-Base interactions energy: -73.216 where: short stacking energy: -28.731 Base-Backbone interact. energy: 0.158 local terms energy: -41.225085 where: bonds (distance) C4'-P energy: -9.238 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -5.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -117.761088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.761088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.761088 (E_RNA) where: Base-Base interactions energy: -72.992 where: short stacking energy: -32.524 Base-Backbone interact. energy: -0.039 local terms energy: -44.729520 where: bonds (distance) C4'-P energy: -10.570 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -8.959 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -9.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -116.758014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.758014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.758014 (E_RNA) where: Base-Base interactions energy: -81.547 where: short stacking energy: -32.508 Base-Backbone interact. energy: -0.003 local terms energy: -35.207966 where: bonds (distance) C4'-P energy: -8.800 bonds (distance) P-C4' energy: -7.004 flat angles C4'-P-C4' energy: -9.017 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -8.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -116.081729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.081729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.081729 (E_RNA) where: Base-Base interactions energy: -77.467 where: short stacking energy: -31.157 Base-Backbone interact. energy: -0.001 local terms energy: -38.613641 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -7.422 flat angles C4'-P-C4' energy: -8.539 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -9.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -101.549929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.549929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.549929 (E_RNA) where: Base-Base interactions energy: -66.630 where: short stacking energy: -25.736 Base-Backbone interact. energy: -1.209 local terms energy: -33.710977 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.557 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -59.628775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.628775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.628775 (E_RNA) where: Base-Base interactions energy: -24.774 where: short stacking energy: -17.399 Base-Backbone interact. energy: -0.152 local terms energy: -34.702685 where: bonds (distance) C4'-P energy: -9.110 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -9.899 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -59.404831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.404831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.404831 (E_RNA) where: Base-Base interactions energy: -26.665 where: short stacking energy: -11.935 Base-Backbone interact. energy: -0.061 local terms energy: -32.678439 where: bonds (distance) C4'-P energy: -3.732 bonds (distance) P-C4' energy: -9.485 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -6.638 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -51.233782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.233782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.233782 (E_RNA) where: Base-Base interactions energy: -20.534 where: short stacking energy: -20.534 Base-Backbone interact. energy: -0.130 local terms energy: -30.570144 where: bonds (distance) C4'-P energy: -4.237 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -58.071852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.071852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.071852 (E_RNA) where: Base-Base interactions energy: -27.976 where: short stacking energy: -13.344 Base-Backbone interact. energy: -0.005 local terms energy: -30.090123 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -7.424 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -58.979880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.979880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.979880 (E_RNA) where: Base-Base interactions energy: -27.311 where: short stacking energy: -9.732 Base-Backbone interact. energy: -0.252 local terms energy: -31.417359 where: bonds (distance) C4'-P energy: -8.608 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -0.169 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: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -121.201265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.201265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.201265 (E_RNA) where: Base-Base interactions energy: -84.646 where: short stacking energy: -34.448 Base-Backbone interact. energy: -0.011 local terms energy: -36.544193 where: bonds (distance) C4'-P energy: -7.798 bonds (distance) P-C4' energy: -10.097 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -2.441 tors. eta vs tors. theta energy: -7.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -119.759911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.759911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.759911 (E_RNA) where: Base-Base interactions energy: -80.077 where: short stacking energy: -33.765 Base-Backbone interact. energy: -0.005 local terms energy: -39.678157 where: bonds (distance) C4'-P energy: -8.658 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -9.618 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -9.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -120.014165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.014165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.014165 (E_RNA) where: Base-Base interactions energy: -77.857 where: short stacking energy: -36.515 Base-Backbone interact. energy: -0.001 local terms energy: -42.155928 where: bonds (distance) C4'-P energy: -8.136 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -9.318 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -11.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -106.109350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.109350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.109350 (E_RNA) where: Base-Base interactions energy: -69.576 where: short stacking energy: -27.493 Base-Backbone interact. energy: -0.379 local terms energy: -36.153618 where: bonds (distance) C4'-P energy: -7.222 bonds (distance) P-C4' energy: -9.193 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -8.842 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: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -105.979252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.979252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.979252 (E_RNA) where: Base-Base interactions energy: -64.487 where: short stacking energy: -25.385 Base-Backbone interact. energy: -1.374 local terms energy: -40.117685 where: bonds (distance) C4'-P energy: -5.946 bonds (distance) P-C4' energy: -9.717 flat angles C4'-P-C4' energy: -10.627 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -6.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -94.637845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.637845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.637845 (E_RNA) where: Base-Base interactions energy: -66.937 where: short stacking energy: -28.062 Base-Backbone interact. energy: -0.294 local terms energy: -27.406965 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -5.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -49.662284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.662284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.662284 (E_RNA) where: Base-Base interactions energy: -18.722 where: short stacking energy: -13.333 Base-Backbone interact. energy: -0.603 local terms energy: -30.337979 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -9.538 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: 0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -57.899942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.899942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.899942 (E_RNA) where: Base-Base interactions energy: -21.629 where: short stacking energy: -21.629 Base-Backbone interact. energy: -0.002 local terms energy: -36.269581 where: bonds (distance) C4'-P energy: -8.608 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -7.082 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: 402 Temperature: 1.300000 Total energy: -55.952896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.952896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.952896 (E_RNA) where: Base-Base interactions energy: -22.597 where: short stacking energy: -20.711 Base-Backbone interact. energy: -0.092 local terms energy: -33.263870 where: bonds (distance) C4'-P energy: -8.421 bonds (distance) P-C4' energy: -6.491 flat angles C4'-P-C4' energy: -9.834 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -1.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -46.316879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.316879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.316879 (E_RNA) where: Base-Base interactions energy: -16.593 where: short stacking energy: -14.035 Base-Backbone interact. energy: 0.755 local terms energy: -30.479324 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -117.394591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.394591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.394591 (E_RNA) where: Base-Base interactions energy: -72.857 where: short stacking energy: -33.589 Base-Backbone interact. energy: -0.622 local terms energy: -43.914903 where: bonds (distance) C4'-P energy: -8.413 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -9.840 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -7.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -120.320423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.320423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.320423 (E_RNA) where: Base-Base interactions energy: -72.640 where: short stacking energy: -32.313 Base-Backbone interact. energy: -1.224 local terms energy: -46.456223 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -10.337 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -10.268 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: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -116.657838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.657838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.657838 (E_RNA) where: Base-Base interactions energy: -77.258 where: short stacking energy: -33.774 Base-Backbone interact. energy: -0.000 local terms energy: -39.399845 where: bonds (distance) C4'-P energy: -8.315 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -10.796 flat angles P-C4'-P energy: -1.890 tors. eta vs tors. theta energy: -7.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -111.627975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.627975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.627975 (E_RNA) where: Base-Base interactions energy: -75.537 where: short stacking energy: -34.820 Base-Backbone interact. energy: -0.306 local terms energy: -35.784307 where: bonds (distance) C4'-P energy: -7.466 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -7.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -110.277679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.277679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.277679 (E_RNA) where: Base-Base interactions energy: -75.036 where: short stacking energy: -28.801 Base-Backbone interact. energy: -0.083 local terms energy: -35.158631 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -104.768983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.768983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.768983 (E_RNA) where: Base-Base interactions energy: -66.513 where: short stacking energy: -30.055 Base-Backbone interact. energy: -0.004 local terms energy: -38.252146 where: bonds (distance) C4'-P energy: -9.088 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -5.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -57.426362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.426362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.426362 (E_RNA) where: Base-Base interactions energy: -20.023 where: short stacking energy: -20.023 Base-Backbone interact. energy: -0.000 local terms energy: -37.402752 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -11.357 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -4.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -57.304484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.304484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.304484 (E_RNA) where: Base-Base interactions energy: -23.829 where: short stacking energy: -20.445 Base-Backbone interact. energy: -0.018 local terms energy: -33.456838 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -52.770689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.770689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.770689 (E_RNA) where: Base-Base interactions energy: -20.391 where: short stacking energy: -20.391 Base-Backbone interact. energy: -0.193 local terms energy: -32.187142 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -46.837723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.837723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.837723 (E_RNA) where: Base-Base interactions energy: -18.800 where: short stacking energy: -11.252 Base-Backbone interact. energy: -0.136 local terms energy: -27.902258 where: bonds (distance) C4'-P energy: -8.741 bonds (distance) P-C4' energy: -6.633 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -0.363 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: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -117.930629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.930629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.930629 (E_RNA) where: Base-Base interactions energy: -74.376 where: short stacking energy: -32.118 Base-Backbone interact. energy: -0.095 local terms energy: -43.459696 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -9.313 flat angles P-C4'-P energy: -1.814 tors. eta vs tors. theta energy: -11.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -113.002183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.002183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.002183 (E_RNA) where: Base-Base interactions energy: -74.527 where: short stacking energy: -29.928 Base-Backbone interact. energy: -0.011 local terms energy: -38.463695 where: bonds (distance) C4'-P energy: -10.061 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -8.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -114.796875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.796875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.796875 (E_RNA) where: Base-Base interactions energy: -74.570 where: short stacking energy: -34.370 Base-Backbone interact. energy: -0.223 local terms energy: -40.003416 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -8.820 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -9.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -114.415204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.415204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.415204 (E_RNA) where: Base-Base interactions energy: -69.754 where: short stacking energy: -31.442 Base-Backbone interact. energy: -0.830 local terms energy: -43.831064 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -7.070 tors. eta vs tors. theta energy: -10.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -100.312615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.312615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.312615 (E_RNA) where: Base-Base interactions energy: -68.740 where: short stacking energy: -28.150 Base-Backbone interact. energy: -0.103 local terms energy: -31.469224 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -107.406028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.406028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.406028 (E_RNA) where: Base-Base interactions energy: -66.653 where: short stacking energy: -28.681 Base-Backbone interact. energy: -0.051 local terms energy: -40.702153 where: bonds (distance) C4'-P energy: -6.058 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: -8.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -55.917948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.917948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.917948 (E_RNA) where: Base-Base interactions energy: -23.518 where: short stacking energy: -19.017 Base-Backbone interact. energy: -0.102 local terms energy: -32.297987 where: bonds (distance) C4'-P energy: -8.740 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -2.889 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -4.345 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: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -50.629818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.629818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.629818 (E_RNA) where: Base-Base interactions energy: -16.033 where: short stacking energy: -10.003 Base-Backbone interact. energy: -0.191 local terms energy: -34.406043 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -8.417 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -48.934646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.934646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.934646 (E_RNA) where: Base-Base interactions energy: -19.752 where: short stacking energy: -12.943 Base-Backbone interact. energy: -0.022 local terms energy: -29.160665 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -10.320 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -42.392196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.392196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.392196 (E_RNA) where: Base-Base interactions energy: -7.460 where: short stacking energy: -7.460 Base-Backbone interact. energy: -0.160 local terms energy: -34.771994 where: bonds (distance) C4'-P energy: -9.320 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -118.610772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.610772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.610772 (E_RNA) where: Base-Base interactions energy: -76.026 where: short stacking energy: -34.939 Base-Backbone interact. energy: -0.018 local terms energy: -42.566848 where: bonds (distance) C4'-P energy: -8.612 bonds (distance) P-C4' energy: -9.298 flat angles C4'-P-C4' energy: -10.122 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -9.245 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: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -116.744600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.744600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.744600 (E_RNA) where: Base-Base interactions energy: -74.501 where: short stacking energy: -32.242 Base-Backbone interact. energy: -0.006 local terms energy: -42.237807 where: bonds (distance) C4'-P energy: -9.218 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -8.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -109.801275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.801275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.801275 (E_RNA) where: Base-Base interactions energy: -75.305 where: short stacking energy: -27.786 Base-Backbone interact. energy: 0.648 local terms energy: -35.144232 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -10.137 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -106.828516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.828516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.828516 (E_RNA) where: Base-Base interactions energy: -67.943 where: short stacking energy: -28.941 Base-Backbone interact. energy: -1.136 local terms energy: -37.749046 where: bonds (distance) C4'-P energy: -8.390 bonds (distance) P-C4' energy: -7.859 flat angles C4'-P-C4' energy: -10.775 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -111.373634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.373634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.373634 (E_RNA) where: Base-Base interactions energy: -75.718 where: short stacking energy: -36.422 Base-Backbone interact. energy: -0.012 local terms energy: -35.643697 where: bonds (distance) C4'-P energy: -5.346 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -8.346 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -8.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -101.914192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.914192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.914192 (E_RNA) where: Base-Base interactions energy: -71.220 where: short stacking energy: -27.658 Base-Backbone interact. energy: -0.001 local terms energy: -30.692578 where: bonds (distance) C4'-P energy: -4.853 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -5.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -57.301525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.301525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.301525 (E_RNA) where: Base-Base interactions energy: -27.147 where: short stacking energy: -10.766 Base-Backbone interact. energy: -0.994 local terms energy: -29.160828 where: bonds (distance) C4'-P energy: -6.145 bonds (distance) P-C4' energy: -8.190 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -1.700 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: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -47.010258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.010258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.010258 (E_RNA) where: Base-Base interactions energy: -16.290 where: short stacking energy: -16.290 Base-Backbone interact. energy: -0.030 local terms energy: -30.689791 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -10.035 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -0.468 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -49.084178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.084178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.084178 (E_RNA) where: Base-Base interactions energy: -26.511 where: short stacking energy: -19.400 Base-Backbone interact. energy: -0.119 local terms energy: -22.453838 where: bonds (distance) C4'-P energy: -5.864 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: 0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -46.700193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.700193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.700193 (E_RNA) where: Base-Base interactions energy: -13.605 where: short stacking energy: -8.783 Base-Backbone interact. energy: -0.026 local terms energy: -33.068515 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -10.913 flat angles C4'-P-C4' energy: -9.265 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: 1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -116.242552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.242552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.242552 (E_RNA) where: Base-Base interactions energy: -75.167 where: short stacking energy: -32.297 Base-Backbone interact. energy: -0.598 local terms energy: -40.477664 where: bonds (distance) C4'-P energy: -8.898 bonds (distance) P-C4' energy: -10.032 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -8.530 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: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -115.160945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.160945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.160945 (E_RNA) where: Base-Base interactions energy: -72.077 where: short stacking energy: -31.500 Base-Backbone interact. energy: -0.331 local terms energy: -42.752776 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -7.537 flat angles C4'-P-C4' energy: -9.386 flat angles P-C4'-P energy: -6.694 tors. eta vs tors. theta energy: -8.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -112.321825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.321825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.321825 (E_RNA) where: Base-Base interactions energy: -73.888 where: short stacking energy: -30.187 Base-Backbone interact. energy: -0.923 local terms energy: -37.510530 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -8.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -109.666351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.666351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.666351 (E_RNA) where: Base-Base interactions energy: -67.909 where: short stacking energy: -29.612 Base-Backbone interact. energy: -0.417 local terms energy: -41.340056 where: bonds (distance) C4'-P energy: -9.050 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -7.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -106.258248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.258248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.258248 (E_RNA) where: Base-Base interactions energy: -63.262 where: short stacking energy: -26.503 Base-Backbone interact. energy: -1.182 local terms energy: -41.813407 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -7.555 tors. eta vs tors. theta energy: -9.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -104.168359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.168359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.168359 (E_RNA) where: Base-Base interactions energy: -66.336 where: short stacking energy: -25.024 Base-Backbone interact. energy: -0.011 local terms energy: -37.821097 where: bonds (distance) C4'-P energy: -5.578 bonds (distance) P-C4' energy: -9.598 flat angles C4'-P-C4' energy: -9.761 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -62.555156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.555156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.555156 (E_RNA) where: Base-Base interactions energy: -30.202 where: short stacking energy: -19.072 Base-Backbone interact. energy: -0.074 local terms energy: -32.278882 where: bonds (distance) C4'-P energy: -3.972 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -58.569937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.569937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.569937 (E_RNA) where: Base-Base interactions energy: -23.626 where: short stacking energy: -16.919 Base-Backbone interact. energy: -0.103 local terms energy: -34.841575 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -5.911 flat angles C4'-P-C4' energy: -9.771 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -47.462874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.462874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.462874 (E_RNA) where: Base-Base interactions energy: -17.324 where: short stacking energy: -17.324 Base-Backbone interact. energy: -0.068 local terms energy: -30.070845 where: bonds (distance) C4'-P energy: -7.234 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -50.823887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.823887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.823887 (E_RNA) where: Base-Base interactions energy: -19.439 where: short stacking energy: -19.439 Base-Backbone interact. energy: -0.008 local terms energy: -31.376333 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -9.230 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -114.214294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.214294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.214294 (E_RNA) where: Base-Base interactions energy: -72.314 where: short stacking energy: -28.951 Base-Backbone interact. energy: -0.001 local terms energy: -41.899306 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -9.669 flat angles C4'-P-C4' energy: -9.382 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -114.037105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.037105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.037105 (E_RNA) where: Base-Base interactions energy: -72.684 where: short stacking energy: -36.956 Base-Backbone interact. energy: -0.070 local terms energy: -41.283298 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -8.562 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -8.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -113.484155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.484155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.484155 (E_RNA) where: Base-Base interactions energy: -76.142 where: short stacking energy: -33.199 Base-Backbone interact. energy: -0.048 local terms energy: -37.294602 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -10.393 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -112.447698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.447698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.447698 (E_RNA) where: Base-Base interactions energy: -71.705 where: short stacking energy: -31.211 Base-Backbone interact. energy: -0.002 local terms energy: -40.740999 where: bonds (distance) C4'-P energy: -8.504 bonds (distance) P-C4' energy: -9.699 flat angles C4'-P-C4' energy: -9.444 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -7.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -117.672756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.672756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.672756 (E_RNA) where: Base-Base interactions energy: -73.909 where: short stacking energy: -33.191 Base-Backbone interact. energy: -0.401 local terms energy: -43.363248 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -9.029 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -9.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -103.852457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.852457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.852457 (E_RNA) where: Base-Base interactions energy: -67.462 where: short stacking energy: -30.099 Base-Backbone interact. energy: -0.024 local terms energy: -36.366606 where: bonds (distance) C4'-P energy: -8.095 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -7.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -100.839572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.839572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.839572 (E_RNA) where: Base-Base interactions energy: -65.447 where: short stacking energy: -21.952 Base-Backbone interact. energy: -0.005 local terms energy: -35.387597 where: bonds (distance) C4'-P energy: -8.235 bonds (distance) P-C4' energy: -7.857 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -7.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -54.317333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.317333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.317333 (E_RNA) where: Base-Base interactions energy: -19.990 where: short stacking energy: -18.364 Base-Backbone interact. energy: -0.027 local terms energy: -34.300321 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -9.939 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -1.094 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: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -53.104089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.104089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.104089 (E_RNA) where: Base-Base interactions energy: -20.832 where: short stacking energy: -20.832 Base-Backbone interact. energy: 0.298 local terms energy: -32.570247 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -6.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -46.680434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.680434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.680434 (E_RNA) where: Base-Base interactions energy: -18.826 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.022 local terms energy: -27.832448 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -7.496 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: 1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -129.762810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.762810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.762810 (E_RNA) where: Base-Base interactions energy: -85.271 where: short stacking energy: -37.039 Base-Backbone interact. energy: -0.684 local terms energy: -43.807176 where: bonds (distance) C4'-P energy: -9.101 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: -10.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -125.006965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.006965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.006965 (E_RNA) where: Base-Base interactions energy: -80.927 where: short stacking energy: -35.761 Base-Backbone interact. energy: -0.010 local terms energy: -44.070340 where: bonds (distance) C4'-P energy: -9.341 bonds (distance) P-C4' energy: -9.708 flat angles C4'-P-C4' energy: -9.956 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -8.803 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: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -114.490350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.490350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.490350 (E_RNA) where: Base-Base interactions energy: -76.210 where: short stacking energy: -32.867 Base-Backbone interact. energy: -0.006 local terms energy: -38.274592 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -7.099 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -111.774348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.774348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.774348 (E_RNA) where: Base-Base interactions energy: -79.058 where: short stacking energy: -30.288 Base-Backbone interact. energy: -0.705 local terms energy: -32.011551 where: bonds (distance) C4'-P energy: -4.062 bonds (distance) P-C4' energy: -10.327 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -1.640 tors. eta vs tors. theta energy: -8.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -110.277643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.277643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.277643 (E_RNA) where: Base-Base interactions energy: -72.524 where: short stacking energy: -30.481 Base-Backbone interact. energy: -0.000 local terms energy: -37.753198 where: bonds (distance) C4'-P energy: -9.002 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -10.477 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -107.962478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.962478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.962478 (E_RNA) where: Base-Base interactions energy: -63.818 where: short stacking energy: -26.183 Base-Backbone interact. energy: -1.305 local terms energy: -42.839445 where: bonds (distance) C4'-P energy: -9.396 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -6.673 tors. eta vs tors. theta energy: -8.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -55.187671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.187671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.187671 (E_RNA) where: Base-Base interactions energy: -21.117 where: short stacking energy: -16.620 Base-Backbone interact. energy: -0.140 local terms energy: -33.931073 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -8.527 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -100.043165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.043165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.043165 (E_RNA) where: Base-Base interactions energy: -64.652 where: short stacking energy: -29.671 Base-Backbone interact. energy: -0.219 local terms energy: -35.171996 where: bonds (distance) C4'-P energy: -7.966 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -10.384 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -4.586 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: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -53.007791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.007791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.007791 (E_RNA) where: Base-Base interactions energy: -22.399 where: short stacking energy: -13.184 Base-Backbone interact. energy: -0.131 local terms energy: -30.478402 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -9.510 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -51.126908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.126908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.126908 (E_RNA) where: Base-Base interactions energy: -18.219 where: short stacking energy: -18.719 Base-Backbone interact. energy: -0.278 local terms energy: -32.629706 where: bonds (distance) C4'-P energy: -7.938 bonds (distance) P-C4' energy: -7.700 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -6.432 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -115.438505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.438505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.438505 (E_RNA) where: Base-Base interactions energy: -73.762 where: short stacking energy: -30.058 Base-Backbone interact. energy: -0.003 local terms energy: -41.673708 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -9.978 flat angles C4'-P-C4' energy: -10.326 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -9.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -117.605923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.605923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.605923 (E_RNA) where: Base-Base interactions energy: -82.310 where: short stacking energy: -33.859 Base-Backbone interact. energy: -0.003 local terms energy: -35.292719 where: bonds (distance) C4'-P energy: -7.651 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -106.283739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.283739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.283739 (E_RNA) where: Base-Base interactions energy: -64.729 where: short stacking energy: -28.164 Base-Backbone interact. energy: -1.306 local terms energy: -40.248348 where: bonds (distance) C4'-P energy: -7.665 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -10.395 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -4.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -108.508628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.508628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.508628 (E_RNA) where: Base-Base interactions energy: -63.475 where: short stacking energy: -24.411 Base-Backbone interact. energy: -0.016 local terms energy: -45.017678 where: bonds (distance) C4'-P energy: -8.216 bonds (distance) P-C4' energy: -9.689 flat angles C4'-P-C4' energy: -10.695 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -10.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -105.770490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.770490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.770490 (E_RNA) where: Base-Base interactions energy: -68.474 where: short stacking energy: -30.381 Base-Backbone interact. energy: -0.255 local terms energy: -37.040912 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -9.079 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -2.292 tors. eta vs tors. theta energy: -6.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -108.147571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.147571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.147571 (E_RNA) where: Base-Base interactions energy: -74.195 where: short stacking energy: -25.733 Base-Backbone interact. energy: -0.170 local terms energy: -33.781970 where: bonds (distance) C4'-P energy: -5.404 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -46.378918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.378918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.378918 (E_RNA) where: Base-Base interactions energy: -21.161 where: short stacking energy: -15.295 Base-Backbone interact. energy: 0.294 local terms energy: -25.511710 where: bonds (distance) C4'-P energy: -3.223 bonds (distance) P-C4' energy: -8.528 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -97.953641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.953641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.953641 (E_RNA) where: Base-Base interactions energy: -62.903 where: short stacking energy: -25.123 Base-Backbone interact. energy: -0.015 local terms energy: -35.036063 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.771 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -47.098019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.098019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.098019 (E_RNA) where: Base-Base interactions energy: -19.110 where: short stacking energy: -9.012 Base-Backbone interact. energy: -0.185 local terms energy: -27.803330 where: bonds (distance) C4'-P energy: -7.966 bonds (distance) P-C4' energy: -7.564 flat angles C4'-P-C4' energy: -9.426 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: 2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -51.142826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.142826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.142826 (E_RNA) where: Base-Base interactions energy: -15.803 where: short stacking energy: -15.803 Base-Backbone interact. energy: -0.000 local terms energy: -35.339671 where: bonds (distance) C4'-P energy: -7.619 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.755 flat angles P-C4'-P energy: -6.517 tors. eta vs tors. theta energy: -3.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -118.332422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.332422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.332422 (E_RNA) where: Base-Base interactions energy: -78.905 where: short stacking energy: -35.936 Base-Backbone interact. energy: 0.130 local terms energy: -39.557837 where: bonds (distance) C4'-P energy: -8.189 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -8.982 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -6.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -113.777237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.777237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.777237 (E_RNA) where: Base-Base interactions energy: -73.477 where: short stacking energy: -28.994 Base-Backbone interact. energy: -0.777 local terms energy: -39.523526 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -7.905 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: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -116.616838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.616838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.616838 (E_RNA) where: Base-Base interactions energy: -80.166 where: short stacking energy: -31.325 Base-Backbone interact. energy: -0.170 local terms energy: -36.281466 where: bonds (distance) C4'-P energy: -6.869 bonds (distance) P-C4' energy: -6.957 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -9.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -105.408072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.408072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.408072 (E_RNA) where: Base-Base interactions energy: -65.191 where: short stacking energy: -29.357 Base-Backbone interact. energy: -0.658 local terms energy: -39.558784 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -10.081 flat angles P-C4'-P energy: -0.763 tors. eta vs tors. theta energy: -8.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -106.071648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.071648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.071648 (E_RNA) where: Base-Base interactions energy: -69.047 where: short stacking energy: -29.129 Base-Backbone interact. energy: 0.161 local terms energy: -37.186268 where: bonds (distance) C4'-P energy: -9.883 bonds (distance) P-C4' energy: -6.776 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -7.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -104.189289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.189289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.189289 (E_RNA) where: Base-Base interactions energy: -71.799 where: short stacking energy: -27.566 Base-Backbone interact. energy: -0.000 local terms energy: -32.390529 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -8.957 flat angles C4'-P-C4' energy: -9.889 flat angles P-C4'-P energy: 1.643 tors. eta vs tors. theta energy: -6.206 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: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -58.465216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.465216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.465216 (E_RNA) where: Base-Base interactions energy: -23.773 where: short stacking energy: -23.773 Base-Backbone interact. energy: -0.047 local terms energy: -34.645475 where: bonds (distance) C4'-P energy: -8.364 bonds (distance) P-C4' energy: -9.054 flat angles C4'-P-C4' energy: -8.649 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -5.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -55.608797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.608797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.608797 (E_RNA) where: Base-Base interactions energy: -23.232 where: short stacking energy: -19.515 Base-Backbone interact. energy: -0.738 local terms energy: -31.638457 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -51.354104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.354104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.354104 (E_RNA) where: Base-Base interactions energy: -23.402 where: short stacking energy: -9.151 Base-Backbone interact. energy: -0.442 local terms energy: -27.510566 where: bonds (distance) C4'-P energy: -6.423 bonds (distance) P-C4' energy: -10.137 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -51.026986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.026986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.026986 (E_RNA) where: Base-Base interactions energy: -17.692 where: short stacking energy: -17.116 Base-Backbone interact. energy: -0.005 local terms energy: -33.330447 where: bonds (distance) C4'-P energy: -6.741 bonds (distance) P-C4' energy: -7.991 flat angles C4'-P-C4' energy: -9.593 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -1.620 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: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -111.760614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.760614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.760614 (E_RNA) where: Base-Base interactions energy: -74.813 where: short stacking energy: -30.408 Base-Backbone interact. energy: -0.073 local terms energy: -36.873959 where: bonds (distance) C4'-P energy: -8.199 bonds (distance) P-C4' energy: -6.724 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -8.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -108.742468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.742468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.742468 (E_RNA) where: Base-Base interactions energy: -66.903 where: short stacking energy: -26.340 Base-Backbone interact. energy: -0.541 local terms energy: -41.298389 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -6.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -112.377601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.377601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.377601 (E_RNA) where: Base-Base interactions energy: -68.780 where: short stacking energy: -27.982 Base-Backbone interact. energy: -0.482 local terms energy: -43.116184 where: bonds (distance) C4'-P energy: -8.107 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -9.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -114.404676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.404676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.404676 (E_RNA) where: Base-Base interactions energy: -77.490 where: short stacking energy: -31.499 Base-Backbone interact. energy: -0.038 local terms energy: -36.877057 where: bonds (distance) C4'-P energy: -6.807 bonds (distance) P-C4' energy: -10.665 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -7.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -102.302010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.302010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.302010 (E_RNA) where: Base-Base interactions energy: -69.255 where: short stacking energy: -26.789 Base-Backbone interact. energy: -0.042 local terms energy: -33.005706 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -7.035 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -104.883799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.883799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.883799 (E_RNA) where: Base-Base interactions energy: -64.833 where: short stacking energy: -26.529 Base-Backbone interact. energy: -0.216 local terms energy: -39.834909 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.819 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -7.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -50.968196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.968196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.968196 (E_RNA) where: Base-Base interactions energy: -18.573 where: short stacking energy: -18.573 Base-Backbone interact. energy: -0.359 local terms energy: -32.035893 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -3.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -61.294293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.294293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.294293 (E_RNA) where: Base-Base interactions energy: -28.615 where: short stacking energy: -28.563 Base-Backbone interact. energy: -0.010 local terms energy: -32.669041 where: bonds (distance) C4'-P energy: -5.164 bonds (distance) P-C4' energy: -9.318 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -52.148897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.148897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.148897 (E_RNA) where: Base-Base interactions energy: -18.636 where: short stacking energy: -16.971 Base-Backbone interact. energy: -0.001 local terms energy: -33.511848 where: bonds (distance) C4'-P energy: -8.245 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -7.341 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -57.047374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.047374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.047374 (E_RNA) where: Base-Base interactions energy: -23.062 where: short stacking energy: -11.249 Base-Backbone interact. energy: -0.020 local terms energy: -33.965565 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -8.993 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -115.215999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.215999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.215999 (E_RNA) where: Base-Base interactions energy: -75.397 where: short stacking energy: -30.020 Base-Backbone interact. energy: -0.506 local terms energy: -39.312370 where: bonds (distance) C4'-P energy: -9.022 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -9.726 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -112.561211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.561211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.561211 (E_RNA) where: Base-Base interactions energy: -68.974 where: short stacking energy: -27.000 Base-Backbone interact. energy: -0.696 local terms energy: -42.891736 where: bonds (distance) C4'-P energy: -9.034 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -7.241 tors. eta vs tors. theta energy: -8.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -118.541028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.541028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.541028 (E_RNA) where: Base-Base interactions energy: -83.169 where: short stacking energy: -32.817 Base-Backbone interact. energy: -0.400 local terms energy: -34.972138 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -9.647 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -4.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -110.539746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.539746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.539746 (E_RNA) where: Base-Base interactions energy: -74.226 where: short stacking energy: -31.947 Base-Backbone interact. energy: -0.451 local terms energy: -35.862484 where: bonds (distance) C4'-P energy: -8.215 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -6.697 tors. eta vs tors. theta energy: -8.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -101.807730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.807730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.807730 (E_RNA) where: Base-Base interactions energy: -67.574 where: short stacking energy: -24.638 Base-Backbone interact. energy: 0.015 local terms energy: -34.248721 where: bonds (distance) C4'-P energy: -7.582 bonds (distance) P-C4' energy: -10.619 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -5.672 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -103.801219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.801219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.801219 (E_RNA) where: Base-Base interactions energy: -68.210 where: short stacking energy: -27.055 Base-Backbone interact. energy: -0.041 local terms energy: -35.549649 where: bonds (distance) C4'-P energy: -7.868 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -2.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -86.367742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.367742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.367742 (E_RNA) where: Base-Base interactions energy: -51.216 where: short stacking energy: -23.066 Base-Backbone interact. energy: -0.091 local terms energy: -35.061147 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -53.199407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.199407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.199407 (E_RNA) where: Base-Base interactions energy: -19.566 where: short stacking energy: -14.968 Base-Backbone interact. energy: -1.172 local terms energy: -32.461448 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -9.513 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: 1.909 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: 9, replica: 6 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -52.611670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.611670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.611670 (E_RNA) where: Base-Base interactions energy: -29.967 where: short stacking energy: -20.097 Base-Backbone interact. energy: -0.231 local terms energy: -22.413543 where: bonds (distance) C4'-P energy: -5.926 bonds (distance) P-C4' energy: -7.712 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: 1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -48.401717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.401717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.401717 (E_RNA) where: Base-Base interactions energy: -14.749 where: short stacking energy: -14.749 Base-Backbone interact. energy: -0.006 local terms energy: -33.646672 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -8.417 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -117.184274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.184274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.184274 (E_RNA) where: Base-Base interactions energy: -74.658 where: short stacking energy: -37.336 Base-Backbone interact. energy: -0.007 local terms energy: -42.519241 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -9.408 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: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -115.301570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.301570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.301570 (E_RNA) where: Base-Base interactions energy: -76.962 where: short stacking energy: -28.259 Base-Backbone interact. energy: 1.398 local terms energy: -39.737364 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -10.172 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -6.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -106.623437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.623437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.623437 (E_RNA) where: Base-Base interactions energy: -64.862 where: short stacking energy: -24.643 Base-Backbone interact. energy: -1.587 local terms energy: -40.174284 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -9.387 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -6.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -109.558507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.558507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.558507 (E_RNA) where: Base-Base interactions energy: -73.376 where: short stacking energy: -30.893 Base-Backbone interact. energy: -0.017 local terms energy: -36.165610 where: bonds (distance) C4'-P energy: -8.827 bonds (distance) P-C4' energy: -6.533 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -8.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -110.594140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.594140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.594140 (E_RNA) where: Base-Base interactions energy: -74.332 where: short stacking energy: -33.756 Base-Backbone interact. energy: -0.279 local terms energy: -35.983081 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -3.803 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -9.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -102.253267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.253267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.253267 (E_RNA) where: Base-Base interactions energy: -68.029 where: short stacking energy: -29.361 Base-Backbone interact. energy: -0.013 local terms energy: -34.210994 where: bonds (distance) C4'-P energy: -8.206 bonds (distance) P-C4' energy: -8.499 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -104.172117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.172117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.172117 (E_RNA) where: Base-Base interactions energy: -68.012 where: short stacking energy: -28.511 Base-Backbone interact. energy: -0.000 local terms energy: -36.159795 where: bonds (distance) C4'-P energy: -8.832 bonds (distance) P-C4' energy: -9.911 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -54.789161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.789161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.789161 (E_RNA) where: Base-Base interactions energy: -22.991 where: short stacking energy: -21.030 Base-Backbone interact. energy: -0.063 local terms energy: -31.735032 where: bonds (distance) C4'-P energy: -8.803 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -1.797 tors. eta vs tors. theta energy: -5.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -46.734436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.734436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.734436 (E_RNA) where: Base-Base interactions energy: -11.266 where: short stacking energy: -6.324 Base-Backbone interact. energy: -0.023 local terms energy: -35.445763 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -8.115 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -48.985818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.985818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.985818 (E_RNA) where: Base-Base interactions energy: -18.416 where: short stacking energy: -17.411 Base-Backbone interact. energy: -0.077 local terms energy: -30.491981 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: 2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -117.573107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.573107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.573107 (E_RNA) where: Base-Base interactions energy: -78.926 where: short stacking energy: -32.052 Base-Backbone interact. energy: -0.040 local terms energy: -38.607488 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -10.687 flat angles C4'-P-C4' energy: -8.732 flat angles P-C4'-P energy: -3.317 tors. eta vs tors. theta energy: -5.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -114.869048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.869048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.869048 (E_RNA) where: Base-Base interactions energy: -77.496 where: short stacking energy: -34.108 Base-Backbone interact. energy: -0.825 local terms energy: -36.547167 where: bonds (distance) C4'-P energy: -5.172 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -9.117 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -6.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -108.421312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.421312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.421312 (E_RNA) where: Base-Base interactions energy: -73.160 where: short stacking energy: -27.804 Base-Backbone interact. energy: -0.001 local terms energy: -35.260499 where: bonds (distance) C4'-P energy: -9.167 bonds (distance) P-C4' energy: -7.868 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -1.621 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -114.475023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.475023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.475023 (E_RNA) where: Base-Base interactions energy: -81.902 where: short stacking energy: -31.649 Base-Backbone interact. energy: -0.002 local terms energy: -32.570438 where: bonds (distance) C4'-P energy: -8.733 bonds (distance) P-C4' energy: -6.756 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -110.281828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.281828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.281828 (E_RNA) where: Base-Base interactions energy: -69.563 where: short stacking energy: -33.897 Base-Backbone interact. energy: -0.008 local terms energy: -40.710539 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -9.876 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -8.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -107.174982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.174982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.174982 (E_RNA) where: Base-Base interactions energy: -65.623 where: short stacking energy: -24.877 Base-Backbone interact. energy: 0.002 local terms energy: -41.553802 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -9.862 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -6.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -100.845332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.845332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.845332 (E_RNA) where: Base-Base interactions energy: -63.250 where: short stacking energy: -25.999 Base-Backbone interact. energy: -0.105 local terms energy: -37.489988 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -6.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -49.621615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.621615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.621615 (E_RNA) where: Base-Base interactions energy: -15.922 where: short stacking energy: -11.510 Base-Backbone interact. energy: -0.208 local terms energy: -33.491195 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -9.037 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -50.816110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.816110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.816110 (E_RNA) where: Base-Base interactions energy: -14.957 where: short stacking energy: -14.957 Base-Backbone interact. energy: -0.112 local terms energy: -35.746755 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -9.911 flat angles C4'-P-C4' energy: -9.586 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -45.646699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.646699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.646699 (E_RNA) where: Base-Base interactions energy: -17.354 where: short stacking energy: -14.350 Base-Backbone interact. energy: -0.097 local terms energy: -28.195872 where: bonds (distance) C4'-P energy: -8.239 bonds (distance) P-C4' energy: -3.618 flat angles C4'-P-C4' energy: -10.919 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: 0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -120.686659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.686659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.686659 (E_RNA) where: Base-Base interactions energy: -82.178 where: short stacking energy: -35.984 Base-Backbone interact. energy: -0.000 local terms energy: -38.508376 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -9.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -114.544295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.544295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.544295 (E_RNA) where: Base-Base interactions energy: -72.417 where: short stacking energy: -30.495 Base-Backbone interact. energy: -1.038 local terms energy: -41.090227 where: bonds (distance) C4'-P energy: -6.368 bonds (distance) P-C4' energy: -10.131 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -9.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -116.900961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.900961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.900961 (E_RNA) where: Base-Base interactions energy: -73.344 where: short stacking energy: -34.626 Base-Backbone interact. energy: -0.013 local terms energy: -43.544264 where: bonds (distance) C4'-P energy: -7.673 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -8.236 flat angles P-C4'-P energy: -8.232 tors. eta vs tors. theta energy: -9.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -109.036813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.036813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.036813 (E_RNA) where: Base-Base interactions energy: -65.619 where: short stacking energy: -29.335 Base-Backbone interact. energy: -0.713 local terms energy: -42.704791 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -9.404 flat angles C4'-P-C4' energy: -7.414 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -11.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -106.199518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.199518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.199518 (E_RNA) where: Base-Base interactions energy: -71.082 where: short stacking energy: -26.154 Base-Backbone interact. energy: -0.004 local terms energy: -35.113540 where: bonds (distance) C4'-P energy: -8.236 bonds (distance) P-C4' energy: -6.700 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -106.505837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.505837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.505837 (E_RNA) where: Base-Base interactions energy: -68.797 where: short stacking energy: -32.059 Base-Backbone interact. energy: -0.007 local terms energy: -37.701347 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -9.774 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -8.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -109.613948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.613948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.613948 (E_RNA) where: Base-Base interactions energy: -73.127 where: short stacking energy: -28.833 Base-Backbone interact. energy: -0.062 local terms energy: -36.424451 where: bonds (distance) C4'-P energy: -6.989 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -8.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -51.272131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.272131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.272131 (E_RNA) where: Base-Base interactions energy: -22.917 where: short stacking energy: -21.206 Base-Backbone interact. energy: -0.091 local terms energy: -28.264130 where: bonds (distance) C4'-P energy: -6.166 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -2.183 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: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -59.378711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.378711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.378711 (E_RNA) where: Base-Base interactions energy: -21.563 where: short stacking energy: -21.477 Base-Backbone interact. energy: -0.050 local terms energy: -37.766203 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -10.594 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -6.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -47.884807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.884807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.884807 (E_RNA) where: Base-Base interactions energy: -14.201 where: short stacking energy: -14.201 Base-Backbone interact. energy: -0.025 local terms energy: -33.658962 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -118.557179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.557179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.557179 (E_RNA) where: Base-Base interactions energy: -74.325 where: short stacking energy: -34.674 Base-Backbone interact. energy: -0.002 local terms energy: -44.230579 where: bonds (distance) C4'-P energy: -9.518 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -8.330 tors. eta vs tors. theta energy: -8.859 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: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -106.077010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.077010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.077010 (E_RNA) where: Base-Base interactions energy: -68.382 where: short stacking energy: -25.453 Base-Backbone interact. energy: -0.832 local terms energy: -36.863137 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -6.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -111.589418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.589418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.589418 (E_RNA) where: Base-Base interactions energy: -71.096 where: short stacking energy: -25.637 Base-Backbone interact. energy: 0.406 local terms energy: -40.899100 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -7.818 flat angles C4'-P-C4' energy: -9.595 flat angles P-C4'-P energy: -4.497 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: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -111.772743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.772743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.772743 (E_RNA) where: Base-Base interactions energy: -69.985 where: short stacking energy: -32.581 Base-Backbone interact. energy: -0.871 local terms energy: -40.917428 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -10.650 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -4.815 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: 3 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -103.319280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.319280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.319280 (E_RNA) where: Base-Base interactions energy: -65.352 where: short stacking energy: -23.883 Base-Backbone interact. energy: -0.039 local terms energy: -37.928644 where: bonds (distance) C4'-P energy: -5.574 bonds (distance) P-C4' energy: -7.294 flat angles C4'-P-C4' energy: -9.911 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -9.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -111.896396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.896396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.896396 (E_RNA) where: Base-Base interactions energy: -77.804 where: short stacking energy: -35.568 Base-Backbone interact. energy: -0.799 local terms energy: -33.293573 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -101.711121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.711121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.711121 (E_RNA) where: Base-Base interactions energy: -63.386 where: short stacking energy: -23.295 Base-Backbone interact. energy: -0.456 local terms energy: -37.868733 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -8.071 flat angles C4'-P-C4' energy: -9.470 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -55.640226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.640226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.640226 (E_RNA) where: Base-Base interactions energy: -25.385 where: short stacking energy: -21.161 Base-Backbone interact. energy: -0.013 local terms energy: -30.242053 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -10.143 flat angles C4'-P-C4' energy: -10.043 flat angles P-C4'-P energy: -1.536 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -51.800556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.800556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.800556 (E_RNA) where: Base-Base interactions energy: -21.230 where: short stacking energy: -21.230 Base-Backbone interact. energy: -0.000 local terms energy: -30.570734 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -6.456 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -6.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -51.287526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.287526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.287526 (E_RNA) where: Base-Base interactions energy: -25.441 where: short stacking energy: -25.441 Base-Backbone interact. energy: -0.041 local terms energy: -25.805791 where: bonds (distance) C4'-P energy: -6.369 bonds (distance) P-C4' energy: -7.797 flat angles C4'-P-C4' energy: 1.421 flat angles P-C4'-P energy: -7.936 tors. eta vs tors. theta energy: -5.126 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: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -115.017783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.017783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.017783 (E_RNA) where: Base-Base interactions energy: -79.037 where: short stacking energy: -29.641 Base-Backbone interact. energy: -0.033 local terms energy: -35.948004 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -1.333 tors. eta vs tors. theta energy: -9.096 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: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -114.352726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.352726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.352726 (E_RNA) where: Base-Base interactions energy: -76.672 where: short stacking energy: -32.311 Base-Backbone interact. energy: -0.354 local terms energy: -37.326704 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -5.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -112.906752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.906752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.906752 (E_RNA) where: Base-Base interactions energy: -77.795 where: short stacking energy: -30.708 Base-Backbone interact. energy: -0.004 local terms energy: -35.107504 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -9.670 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -6.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -106.313396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.313396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.313396 (E_RNA) where: Base-Base interactions energy: -71.506 where: short stacking energy: -29.158 Base-Backbone interact. energy: -0.216 local terms energy: -34.591742 where: bonds (distance) C4'-P energy: -9.342 bonds (distance) P-C4' energy: -10.064 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -112.643348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.643348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.643348 (E_RNA) where: Base-Base interactions energy: -72.110 where: short stacking energy: -29.290 Base-Backbone interact. energy: -0.001 local terms energy: -40.531957 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -7.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -107.136013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.136013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.136013 (E_RNA) where: Base-Base interactions energy: -72.000 where: short stacking energy: -28.944 Base-Backbone interact. energy: -0.039 local terms energy: -35.097064 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -5.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -98.246477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.246477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.246477 (E_RNA) where: Base-Base interactions energy: -63.115 where: short stacking energy: -26.567 Base-Backbone interact. energy: -0.008 local terms energy: -35.123827 where: bonds (distance) C4'-P energy: -8.028 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -8.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -62.449657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.449657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.449657 (E_RNA) where: Base-Base interactions energy: -30.054 where: short stacking energy: -20.262 Base-Backbone interact. energy: -0.100 local terms energy: -32.295361 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -9.609 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -2.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -53.040117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.040117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.040117 (E_RNA) where: Base-Base interactions energy: -18.617 where: short stacking energy: -13.563 Base-Backbone interact. energy: -0.096 local terms energy: -34.327011 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -9.911 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -6.758 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: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -45.950840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.950840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.950840 (E_RNA) where: Base-Base interactions energy: -15.510 where: short stacking energy: -9.505 Base-Backbone interact. energy: 3.006 local terms energy: -33.446919 where: bonds (distance) C4'-P energy: -9.002 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -1.624 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: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -116.441839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.441839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.441839 (E_RNA) where: Base-Base interactions energy: -84.931 where: short stacking energy: -37.041 Base-Backbone interact. energy: -0.060 local terms energy: -31.450908 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -1.722 tors. eta vs tors. theta energy: -7.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -112.696187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.696187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.696187 (E_RNA) where: Base-Base interactions energy: -70.391 where: short stacking energy: -32.337 Base-Backbone interact. energy: -0.993 local terms energy: -41.311523 where: bonds (distance) C4'-P energy: -9.474 bonds (distance) P-C4' energy: -10.133 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -7.978 tors. eta vs tors. theta energy: -4.982 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: 418 Temperature: 1.000000 Total energy: -107.063500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.063500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.063500 (E_RNA) where: Base-Base interactions energy: -64.368 where: short stacking energy: -23.179 Base-Backbone interact. energy: -0.037 local terms energy: -42.658928 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -5.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -107.471732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.471732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.471732 (E_RNA) where: Base-Base interactions energy: -65.238 where: short stacking energy: -27.784 Base-Backbone interact. energy: -0.015 local terms energy: -42.218915 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -7.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -105.944137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.944137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.944137 (E_RNA) where: Base-Base interactions energy: -64.382 where: short stacking energy: -28.909 Base-Backbone interact. energy: -0.392 local terms energy: -41.170324 where: bonds (distance) C4'-P energy: -9.626 bonds (distance) P-C4' energy: -7.237 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -8.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -110.320789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.320789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.320789 (E_RNA) where: Base-Base interactions energy: -67.952 where: short stacking energy: -29.206 Base-Backbone interact. energy: -0.000 local terms energy: -42.368214 where: bonds (distance) C4'-P energy: -9.771 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -10.374 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -56.694820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.694820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.694820 (E_RNA) where: Base-Base interactions energy: -22.121 where: short stacking energy: -22.121 Base-Backbone interact. energy: -0.135 local terms energy: -34.439294 where: bonds (distance) C4'-P energy: -5.929 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -2.620 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: 418 Temperature: 1.250000 Total energy: -47.509672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.509672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.509672 (E_RNA) where: Base-Base interactions energy: -12.595 where: short stacking energy: -12.595 Base-Backbone interact. energy: -0.094 local terms energy: -34.821197 where: bonds (distance) C4'-P energy: -10.123 bonds (distance) P-C4' energy: -8.728 flat angles C4'-P-C4' energy: -8.388 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -53.288793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.288793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.288793 (E_RNA) where: Base-Base interactions energy: -24.944 where: short stacking energy: -19.082 Base-Backbone interact. energy: -0.185 local terms energy: -28.159818 where: bonds (distance) C4'-P energy: -8.265 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: 0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -51.743836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.743836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.743836 (E_RNA) where: Base-Base interactions energy: -21.079 where: short stacking energy: -21.079 Base-Backbone interact. energy: -0.023 local terms energy: -30.641965 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -1.944 tors. eta vs tors. theta energy: -3.039 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: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -119.116695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.116695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.116695 (E_RNA) where: Base-Base interactions energy: -80.330 where: short stacking energy: -32.886 Base-Backbone interact. energy: -0.001 local terms energy: -38.786224 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -9.767 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -9.932 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: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -109.768504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.768504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.768504 (E_RNA) where: Base-Base interactions energy: -75.421 where: short stacking energy: -26.246 Base-Backbone interact. energy: -0.021 local terms energy: -34.327248 where: bonds (distance) C4'-P energy: -6.153 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -7.682 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: 419 Temperature: 1.000000 Total energy: -118.497717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.497717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.497717 (E_RNA) where: Base-Base interactions energy: -71.153 where: short stacking energy: -26.875 Base-Backbone interact. energy: 0.076 local terms energy: -47.419853 where: bonds (distance) C4'-P energy: -9.734 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -11.025 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -9.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -110.340966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.340966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.340966 (E_RNA) where: Base-Base interactions energy: -67.994 where: short stacking energy: -27.440 Base-Backbone interact. energy: -0.000 local terms energy: -42.346561 where: bonds (distance) C4'-P energy: -7.350 bonds (distance) P-C4' energy: -10.917 flat angles C4'-P-C4' energy: -10.010 flat angles P-C4'-P energy: -6.749 tors. eta vs tors. theta energy: -7.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -107.155717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.155717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.155717 (E_RNA) where: Base-Base interactions energy: -69.002 where: short stacking energy: -31.723 Base-Backbone interact. energy: -0.080 local terms energy: -38.073255 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -10.376 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -8.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -59.563508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.563508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.563508 (E_RNA) where: Base-Base interactions energy: -26.447 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.009 local terms energy: -33.107347 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -0.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -100.997175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.997175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.997175 (E_RNA) where: Base-Base interactions energy: -67.283 where: short stacking energy: -25.532 Base-Backbone interact. energy: -0.100 local terms energy: -33.613658 where: bonds (distance) C4'-P energy: -8.555 bonds (distance) P-C4' energy: -6.824 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -6.167 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: 10 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -57.254726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.254726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.254726 (E_RNA) where: Base-Base interactions energy: -22.567 where: short stacking energy: -19.848 Base-Backbone interact. energy: -0.009 local terms energy: -34.678910 where: bonds (distance) C4'-P energy: -6.012 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -66.853346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.853346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.853346 (E_RNA) where: Base-Base interactions energy: -37.352 where: short stacking energy: -18.514 Base-Backbone interact. energy: -0.151 local terms energy: -29.350093 where: bonds (distance) C4'-P energy: -8.865 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: 0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -55.965308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.965308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.965308 (E_RNA) where: Base-Base interactions energy: -25.516 where: short stacking energy: -18.477 Base-Backbone interact. energy: -0.081 local terms energy: -30.367850 where: bonds (distance) C4'-P energy: -8.616 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -2.108 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: 420 Temperature: 0.900000 Total energy: -121.386498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.386498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.386498 (E_RNA) where: Base-Base interactions energy: -88.182 where: short stacking energy: -33.263 Base-Backbone interact. energy: -0.013 local terms energy: -33.191679 where: bonds (distance) C4'-P energy: -4.546 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -9.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -107.450049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.450049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.450049 (E_RNA) where: Base-Base interactions energy: -70.011 where: short stacking energy: -31.114 Base-Backbone interact. energy: -0.019 local terms energy: -37.420097 where: bonds (distance) C4'-P energy: -8.305 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -9.177 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -6.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -114.875548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.875548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.875548 (E_RNA) where: Base-Base interactions energy: -76.097 where: short stacking energy: -35.536 Base-Backbone interact. energy: -0.001 local terms energy: -38.777336 where: bonds (distance) C4'-P energy: -9.701 bonds (distance) P-C4' energy: -10.057 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -7.266 tors. eta vs tors. theta energy: -4.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -106.690062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.690062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.690062 (E_RNA) where: Base-Base interactions energy: -72.702 where: short stacking energy: -30.002 Base-Backbone interact. energy: -0.123 local terms energy: -33.864847 where: bonds (distance) C4'-P energy: -10.384 bonds (distance) P-C4' energy: -8.558 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -0.884 tors. eta vs tors. theta energy: -6.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -101.435951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.435951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.435951 (E_RNA) where: Base-Base interactions energy: -62.721 where: short stacking energy: -21.125 Base-Backbone interact. energy: -0.137 local terms energy: -38.577752 where: bonds (distance) C4'-P energy: -9.341 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -57.653165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.653165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.653165 (E_RNA) where: Base-Base interactions energy: -28.358 where: short stacking energy: -28.358 Base-Backbone interact. energy: -0.203 local terms energy: -29.092202 where: bonds (distance) C4'-P energy: -6.836 bonds (distance) P-C4' energy: -9.365 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -2.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -99.045241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.045241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.045241 (E_RNA) where: Base-Base interactions energy: -62.469 where: short stacking energy: -24.486 Base-Backbone interact. energy: -0.027 local terms energy: -36.548906 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -8.142 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -6.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -51.904028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.904028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.904028 (E_RNA) where: Base-Base interactions energy: -17.503 where: short stacking energy: -17.503 Base-Backbone interact. energy: -0.008 local terms energy: -34.393832 where: bonds (distance) C4'-P energy: -8.252 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -44.310721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.310721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.310721 (E_RNA) where: Base-Base interactions energy: -11.717 where: short stacking energy: -8.684 Base-Backbone interact. energy: -0.054 local terms energy: -32.539465 where: bonds (distance) C4'-P energy: -10.433 bonds (distance) P-C4' energy: -7.346 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -57.777796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.777796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.777796 (E_RNA) where: Base-Base interactions energy: -24.810 where: short stacking energy: -14.440 Base-Backbone interact. energy: -0.053 local terms energy: -32.914747 where: bonds (distance) C4'-P energy: -6.319 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -123.237847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.237847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.237847 (E_RNA) where: Base-Base interactions energy: -83.721 where: short stacking energy: -38.038 Base-Backbone interact. energy: -0.001 local terms energy: -39.515999 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -9.432 flat angles C4'-P-C4' energy: -9.706 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -9.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -114.632956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.632956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.632956 (E_RNA) where: Base-Base interactions energy: -77.591 where: short stacking energy: -27.150 Base-Backbone interact. energy: -0.674 local terms energy: -36.368401 where: bonds (distance) C4'-P energy: -6.717 bonds (distance) P-C4' energy: -9.048 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -8.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -115.178156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.178156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.178156 (E_RNA) where: Base-Base interactions energy: -75.341 where: short stacking energy: -32.082 Base-Backbone interact. energy: -0.732 local terms energy: -39.104771 where: bonds (distance) C4'-P energy: -7.623 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -9.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -116.558928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.558928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.558928 (E_RNA) where: Base-Base interactions energy: -76.804 where: short stacking energy: -28.798 Base-Backbone interact. energy: -0.000 local terms energy: -39.754548 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -10.241 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: -6.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -73.540417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.540417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.540417 (E_RNA) where: Base-Base interactions energy: -48.540 where: short stacking energy: -17.002 Base-Backbone interact. energy: -0.110 local terms energy: -24.890985 where: bonds (distance) C4'-P energy: -1.824 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -88.435300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.435300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.435300 (E_RNA) where: Base-Base interactions energy: -54.552 where: short stacking energy: -26.824 Base-Backbone interact. energy: -0.102 local terms energy: -33.781563 where: bonds (distance) C4'-P energy: -8.724 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -55.395007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.395007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.395007 (E_RNA) where: Base-Base interactions energy: -22.902 where: short stacking energy: -20.913 Base-Backbone interact. energy: -0.114 local terms energy: -32.378897 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -55.028382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.028382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.028382 (E_RNA) where: Base-Base interactions energy: -30.423 where: short stacking energy: -15.658 Base-Backbone interact. energy: -0.081 local terms energy: -24.524574 where: bonds (distance) C4'-P energy: -8.942 bonds (distance) P-C4' energy: -4.918 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: 2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -55.004544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.004544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.004544 (E_RNA) where: Base-Base interactions energy: -17.025 where: short stacking energy: -17.025 Base-Backbone interact. energy: -0.000 local terms energy: -37.979585 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -4.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -46.586883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.586883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.586883 (E_RNA) where: Base-Base interactions energy: -15.541 where: short stacking energy: -11.917 Base-Backbone interact. energy: -0.171 local terms energy: -30.875372 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -9.691 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -3.254 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: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -111.085328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.085328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.085328 (E_RNA) where: Base-Base interactions energy: -71.366 where: short stacking energy: -25.601 Base-Backbone interact. energy: -0.090 local terms energy: -39.629180 where: bonds (distance) C4'-P energy: -9.883 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -10.673 flat angles P-C4'-P energy: -2.311 tors. eta vs tors. theta energy: -7.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -117.808140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.808140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.808140 (E_RNA) where: Base-Base interactions energy: -78.342 where: short stacking energy: -32.835 Base-Backbone interact. energy: -0.000 local terms energy: -39.465654 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -8.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -111.642456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.642456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.642456 (E_RNA) where: Base-Base interactions energy: -71.764 where: short stacking energy: -32.346 Base-Backbone interact. energy: -1.201 local terms energy: -38.677609 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -8.846 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -109.144122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.144122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.144122 (E_RNA) where: Base-Base interactions energy: -71.243 where: short stacking energy: -30.324 Base-Backbone interact. energy: -0.481 local terms energy: -37.420700 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -9.632 flat angles P-C4'-P energy: -0.064 tors. eta vs tors. theta energy: -8.870 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: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -66.911311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.911311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.911311 (E_RNA) where: Base-Base interactions energy: -24.669 where: short stacking energy: -24.669 Base-Backbone interact. energy: -0.001 local terms energy: -42.241882 where: bonds (distance) C4'-P energy: -8.902 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -9.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -77.825797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.825797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.825797 (E_RNA) where: Base-Base interactions energy: -44.296 where: short stacking energy: -22.690 Base-Backbone interact. energy: -0.098 local terms energy: -33.431766 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -7.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -57.267147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.267147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.267147 (E_RNA) where: Base-Base interactions energy: -18.636 where: short stacking energy: -18.043 Base-Backbone interact. energy: -0.025 local terms energy: -38.605444 where: bonds (distance) C4'-P energy: -9.904 bonds (distance) P-C4' energy: -10.563 flat angles C4'-P-C4' energy: -9.497 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -57.943804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.943804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.943804 (E_RNA) where: Base-Base interactions energy: -23.635 where: short stacking energy: -19.482 Base-Backbone interact. energy: -0.023 local terms energy: -34.285615 where: bonds (distance) C4'-P energy: -7.237 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -57.357757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.357757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.357757 (E_RNA) where: Base-Base interactions energy: -29.112 where: short stacking energy: -25.900 Base-Backbone interact. energy: -0.015 local terms energy: -28.230334 where: bonds (distance) C4'-P energy: -2.916 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -9.355 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -6.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -48.702141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.702141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.702141 (E_RNA) where: Base-Base interactions energy: -23.298 where: short stacking energy: -11.419 Base-Backbone interact. energy: -0.047 local terms energy: -25.357035 where: bonds (distance) C4'-P energy: -7.705 bonds (distance) P-C4' energy: -5.556 flat angles C4'-P-C4' energy: -8.097 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -118.908469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.908469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.908469 (E_RNA) where: Base-Base interactions energy: -76.927 where: short stacking energy: -34.570 Base-Backbone interact. energy: -0.104 local terms energy: -41.877867 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -0.572 tors. eta vs tors. theta energy: -8.618 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: 423 Temperature: 0.950000 Total energy: -111.663653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.663653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.663653 (E_RNA) where: Base-Base interactions energy: -75.767 where: short stacking energy: -34.644 Base-Backbone interact. energy: -0.004 local terms energy: -35.892698 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -115.889057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.889057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.889057 (E_RNA) where: Base-Base interactions energy: -77.565 where: short stacking energy: -27.629 Base-Backbone interact. energy: -0.003 local terms energy: -38.321021 where: bonds (distance) C4'-P energy: -6.989 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -8.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -107.381613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.381613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.381613 (E_RNA) where: Base-Base interactions energy: -67.939 where: short stacking energy: -26.706 Base-Backbone interact. energy: -0.078 local terms energy: -39.364762 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -8.755 flat angles C4'-P-C4' energy: -9.441 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -59.138325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.138325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.138325 (E_RNA) where: Base-Base interactions energy: -21.434 where: short stacking energy: -21.434 Base-Backbone interact. energy: -0.000 local terms energy: -37.703530 where: bonds (distance) C4'-P energy: -9.031 bonds (distance) P-C4' energy: -10.193 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -6.167 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: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -63.102103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.102103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.102103 (E_RNA) where: Base-Base interactions energy: -28.109 where: short stacking energy: -18.787 Base-Backbone interact. energy: -0.231 local terms energy: -34.762394 where: bonds (distance) C4'-P energy: -7.895 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -6.403 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -51.765352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.765352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.765352 (E_RNA) where: Base-Base interactions energy: -20.354 where: short stacking energy: -16.501 Base-Backbone interact. energy: -0.546 local terms energy: -30.865261 where: bonds (distance) C4'-P energy: -10.215 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -0.310 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: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -58.124438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.124438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.124438 (E_RNA) where: Base-Base interactions energy: -22.630 where: short stacking energy: -20.512 Base-Backbone interact. energy: -0.002 local terms energy: -35.492720 where: bonds (distance) C4'-P energy: -9.030 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -6.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -55.562695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.562695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.562695 (E_RNA) where: Base-Base interactions energy: -26.997 where: short stacking energy: -22.696 Base-Backbone interact. energy: -0.002 local terms energy: -28.563561 where: bonds (distance) C4'-P energy: -7.946 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -0.999 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -50.176057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.176057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.176057 (E_RNA) where: Base-Base interactions energy: -19.568 where: short stacking energy: -18.191 Base-Backbone interact. energy: 1.389 local terms energy: -31.997391 where: bonds (distance) C4'-P energy: -5.028 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -115.844564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.844564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.844564 (E_RNA) where: Base-Base interactions energy: -74.278 where: short stacking energy: -31.013 Base-Backbone interact. energy: -0.634 local terms energy: -40.932483 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -7.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -116.741251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.741251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.741251 (E_RNA) where: Base-Base interactions energy: -71.872 where: short stacking energy: -31.579 Base-Backbone interact. energy: -0.293 local terms energy: -44.576949 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -10.202 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: -7.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -107.537308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.537308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.537308 (E_RNA) where: Base-Base interactions energy: -63.318 where: short stacking energy: -28.912 Base-Backbone interact. energy: 0.372 local terms energy: -44.591493 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -10.221 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -7.440 tors. eta vs tors. theta energy: -9.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -108.254159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.254159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.254159 (E_RNA) where: Base-Base interactions energy: -65.398 where: short stacking energy: -27.789 Base-Backbone interact. energy: -0.153 local terms energy: -42.703158 where: bonds (distance) C4'-P energy: -9.394 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -8.038 tors. eta vs tors. theta energy: -6.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -69.177834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.177834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.177834 (E_RNA) where: Base-Base interactions energy: -33.874 where: short stacking energy: -22.038 Base-Backbone interact. energy: -0.012 local terms energy: -35.291303 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -10.362 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -62.110259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.110259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.110259 (E_RNA) where: Base-Base interactions energy: -22.494 where: short stacking energy: -22.494 Base-Backbone interact. energy: -0.061 local terms energy: -39.554810 where: bonds (distance) C4'-P energy: -8.733 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: -6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -54.884399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.884399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.884399 (E_RNA) where: Base-Base interactions energy: -24.420 where: short stacking energy: -6.244 Base-Backbone interact. energy: -0.349 local terms energy: -30.115205 where: bonds (distance) C4'-P energy: -7.234 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: 0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -54.375380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.375380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.375380 (E_RNA) where: Base-Base interactions energy: -18.438 where: short stacking energy: -18.438 Base-Backbone interact. energy: -0.014 local terms energy: -35.923969 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -45.626153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.626153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.626153 (E_RNA) where: Base-Base interactions energy: -12.053 where: short stacking energy: -12.053 Base-Backbone interact. energy: -0.002 local terms energy: -33.571733 where: bonds (distance) C4'-P energy: -9.547 bonds (distance) P-C4' energy: -9.985 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -54.065616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.065616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.065616 (E_RNA) where: Base-Base interactions energy: -21.366 where: short stacking energy: -20.481 Base-Backbone interact. energy: -0.025 local terms energy: -32.674491 where: bonds (distance) C4'-P energy: -7.081 bonds (distance) P-C4' energy: -10.126 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -119.150265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.150265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.150265 (E_RNA) where: Base-Base interactions energy: -79.676 where: short stacking energy: -31.318 Base-Backbone interact. energy: -0.006 local terms energy: -39.467512 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -10.836 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -6.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -119.904453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.904453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.904453 (E_RNA) where: Base-Base interactions energy: -75.547 where: short stacking energy: -35.792 Base-Backbone interact. energy: -0.004 local terms energy: -44.353151 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: -10.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -111.838295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.838295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.838295 (E_RNA) where: Base-Base interactions energy: -72.181 where: short stacking energy: -29.271 Base-Backbone interact. energy: -0.524 local terms energy: -39.133108 where: bonds (distance) C4'-P energy: -5.908 bonds (distance) P-C4' energy: -9.703 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -7.539 tors. eta vs tors. theta energy: -6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -107.108374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.108374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.108374 (E_RNA) where: Base-Base interactions energy: -69.030 where: short stacking energy: -25.085 Base-Backbone interact. energy: -0.074 local terms energy: -38.004156 where: bonds (distance) C4'-P energy: -7.689 bonds (distance) P-C4' energy: -9.743 flat angles C4'-P-C4' energy: -10.940 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -74.633610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.633610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.633610 (E_RNA) where: Base-Base interactions energy: -36.238 where: short stacking energy: -15.557 Base-Backbone interact. energy: -0.091 local terms energy: -38.305063 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -10.355 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -7.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -60.128171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.128171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.128171 (E_RNA) where: Base-Base interactions energy: -24.311 where: short stacking energy: -16.412 Base-Backbone interact. energy: -0.024 local terms energy: -35.793492 where: bonds (distance) C4'-P energy: -6.662 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: -4.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -67.216029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.216029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.216029 (E_RNA) where: Base-Base interactions energy: -42.873 where: short stacking energy: -20.237 Base-Backbone interact. energy: -0.147 local terms energy: -24.196256 where: bonds (distance) C4'-P energy: -4.422 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -52.416785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.416785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.416785 (E_RNA) where: Base-Base interactions energy: -19.816 where: short stacking energy: -16.142 Base-Backbone interact. energy: -0.137 local terms energy: -32.464327 where: bonds (distance) C4'-P energy: -6.716 bonds (distance) P-C4' energy: -8.911 flat angles C4'-P-C4' energy: -9.943 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -50.128679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.128679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.128679 (E_RNA) where: Base-Base interactions energy: -13.048 where: short stacking energy: -13.048 Base-Backbone interact. energy: -0.004 local terms energy: -37.077483 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -8.120 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -54.029414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.029414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.029414 (E_RNA) where: Base-Base interactions energy: -19.494 where: short stacking energy: -17.959 Base-Backbone interact. energy: -0.000 local terms energy: -34.535449 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -9.583 flat angles P-C4'-P energy: -0.531 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -115.012275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.012275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.012275 (E_RNA) where: Base-Base interactions energy: -75.189 where: short stacking energy: -32.925 Base-Backbone interact. energy: -0.631 local terms energy: -39.192111 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -2.123 tors. eta vs tors. theta energy: -10.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -113.117417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.117417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.117417 (E_RNA) where: Base-Base interactions energy: -70.831 where: short stacking energy: -27.927 Base-Backbone interact. energy: -0.617 local terms energy: -41.669742 where: bonds (distance) C4'-P energy: -9.341 bonds (distance) P-C4' energy: -7.959 flat angles C4'-P-C4' energy: -9.634 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -7.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -118.290414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.290414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.290414 (E_RNA) where: Base-Base interactions energy: -76.643 where: short stacking energy: -35.379 Base-Backbone interact. energy: -0.006 local terms energy: -41.641213 where: bonds (distance) C4'-P energy: -8.322 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -10.028 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -8.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -112.393871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.393871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.393871 (E_RNA) where: Base-Base interactions energy: -77.557 where: short stacking energy: -33.311 Base-Backbone interact. energy: -0.008 local terms energy: -34.829096 where: bonds (distance) C4'-P energy: -10.438 bonds (distance) P-C4' energy: -9.450 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.860 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: 5, replica: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -69.933703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.933703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.933703 (E_RNA) where: Base-Base interactions energy: -31.172 where: short stacking energy: -23.178 Base-Backbone interact. energy: -0.685 local terms energy: -38.076318 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.223 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -5.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -73.778550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.778550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.778550 (E_RNA) where: Base-Base interactions energy: -38.113 where: short stacking energy: -18.843 Base-Backbone interact. energy: -0.011 local terms energy: -35.655155 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -10.293 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -6.502 tors. eta vs tors. theta energy: -3.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -63.834563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.834563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.834563 (E_RNA) where: Base-Base interactions energy: -26.825 where: short stacking energy: -15.351 Base-Backbone interact. energy: -0.004 local terms energy: -37.006379 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -8.731 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -47.541031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.541031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.541031 (E_RNA) where: Base-Base interactions energy: -19.272 where: short stacking energy: -19.272 Base-Backbone interact. energy: -0.022 local terms energy: -28.247260 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -2.123 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -52.003183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.003183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.003183 (E_RNA) where: Base-Base interactions energy: -19.256 where: short stacking energy: -19.256 Base-Backbone interact. energy: -0.027 local terms energy: -32.719994 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -8.469 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -49.733170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.733170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.733170 (E_RNA) where: Base-Base interactions energy: -20.545 where: short stacking energy: -20.137 Base-Backbone interact. energy: -0.142 local terms energy: -29.047003 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -1.232 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) out arg RESULTS//1/wobble2-518d2a6f_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -109.503099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.503099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.503099 (E_RNA) where: Base-Base interactions energy: -70.787 where: short stacking energy: -28.255 Base-Backbone interact. energy: -0.076 local terms energy: -38.640143 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -10.291 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -6.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -117.966799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.966799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.966799 (E_RNA) where: Base-Base interactions energy: -78.272 where: short stacking energy: -34.051 Base-Backbone interact. energy: -0.003 local terms energy: -39.691737 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -8.399 flat angles C4'-P-C4' energy: -10.179 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -8.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -115.143567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.143567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.143567 (E_RNA) where: Base-Base interactions energy: -73.027 where: short stacking energy: -31.915 Base-Backbone interact. energy: -0.106 local terms energy: -42.010511 where: bonds (distance) C4'-P energy: -7.412 bonds (distance) P-C4' energy: -10.913 flat angles C4'-P-C4' energy: -9.921 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -108.456684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.456684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.456684 (E_RNA) where: Base-Base interactions energy: -67.744 where: short stacking energy: -28.014 Base-Backbone interact. energy: -0.811 local terms energy: -39.901938 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -7.901 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -7.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -69.525643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.525643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.525643 (E_RNA) where: Base-Base interactions energy: -29.482 where: short stacking energy: -29.482 Base-Backbone interact. energy: -0.072 local terms energy: -39.971571 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -6.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -61.985104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.985104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.985104 (E_RNA) where: Base-Base interactions energy: -22.453 where: short stacking energy: -18.633 Base-Backbone interact. energy: -0.011 local terms energy: -39.520332 where: bonds (distance) C4'-P energy: -9.701 bonds (distance) P-C4' energy: -10.320 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -66.351551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.351551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.351551 (E_RNA) where: Base-Base interactions energy: -34.657 where: short stacking energy: -24.550 Base-Backbone interact. energy: -0.013 local terms energy: -31.681172 where: bonds (distance) C4'-P energy: -7.367 bonds (distance) P-C4' energy: -9.190 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -50.463262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.463262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.463262 (E_RNA) where: Base-Base interactions energy: -20.820 where: short stacking energy: -14.691 Base-Backbone interact. energy: -0.109 local terms energy: -29.533916 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -9.910 flat angles C4'-P-C4' energy: -9.099 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: 3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -58.165228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.165228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.165228 (E_RNA) where: Base-Base interactions energy: -23.585 where: short stacking energy: -21.333 Base-Backbone interact. energy: -0.028 local terms energy: -34.551868 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -9.143 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -7.463 tors. eta vs tors. theta energy: -5.576 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: 10, replica: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -42.710712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.710712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.710712 (E_RNA) where: Base-Base interactions energy: -14.225 where: short stacking energy: -14.225 Base-Backbone interact. energy: -0.116 local terms energy: -28.370023 where: bonds (distance) C4'-P energy: -8.600 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -1.261 tors. eta vs tors. theta energy: -0.446 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -108.340510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.340510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.340510 (E_RNA) where: Base-Base interactions energy: -69.614 where: short stacking energy: -27.347 Base-Backbone interact. energy: -0.241 local terms energy: -38.485861 where: bonds (distance) C4'-P energy: -8.215 bonds (distance) P-C4' energy: -9.386 flat angles C4'-P-C4' energy: -9.175 flat angles P-C4'-P energy: -7.985 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -111.548368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.548368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.548368 (E_RNA) where: Base-Base interactions energy: -71.368 where: short stacking energy: -29.074 Base-Backbone interact. energy: -0.231 local terms energy: -39.949358 where: bonds (distance) C4'-P energy: -8.269 bonds (distance) P-C4' energy: -7.438 flat angles C4'-P-C4' energy: -9.760 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -9.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -115.076577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.076577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.076577 (E_RNA) where: Base-Base interactions energy: -71.086 where: short stacking energy: -31.829 Base-Backbone interact. energy: -0.381 local terms energy: -43.610289 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -10.859 flat angles C4'-P-C4' energy: -9.225 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -108.443409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.443409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.443409 (E_RNA) where: Base-Base interactions energy: -66.183 where: short stacking energy: -32.118 Base-Backbone interact. energy: -0.006 local terms energy: -42.254459 where: bonds (distance) C4'-P energy: -8.405 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -9.420 flat angles P-C4'-P energy: -8.421 tors. eta vs tors. theta energy: -6.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -87.317630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.317630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.317630 (E_RNA) where: Base-Base interactions energy: -57.289 where: short stacking energy: -19.094 Base-Backbone interact. energy: 0.565 local terms energy: -30.593785 where: bonds (distance) C4'-P energy: -8.252 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -0.456 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -57.407295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.407295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.407295 (E_RNA) where: Base-Base interactions energy: -25.331 where: short stacking energy: -16.069 Base-Backbone interact. energy: -0.025 local terms energy: -32.050975 where: bonds (distance) C4'-P energy: -7.349 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -61.380296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.380296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.380296 (E_RNA) where: Base-Base interactions energy: -24.520 where: short stacking energy: -24.520 Base-Backbone interact. energy: -0.051 local terms energy: -36.808969 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -10.226 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -54.975572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.975572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.975572 (E_RNA) where: Base-Base interactions energy: -26.238 where: short stacking energy: -13.915 Base-Backbone interact. energy: -0.056 local terms energy: -28.681211 where: bonds (distance) C4'-P energy: -6.539 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -54.437327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.437327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.437327 (E_RNA) where: Base-Base interactions energy: -20.050 where: short stacking energy: -20.050 Base-Backbone interact. energy: 0.014 local terms energy: -34.400921 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -6.975 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -51.362311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.362311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.362311 (E_RNA) where: Base-Base interactions energy: -17.475 where: short stacking energy: -12.515 Base-Backbone interact. energy: -0.385 local terms energy: -33.502588 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -8.978 flat angles C4'-P-C4' energy: -9.542 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -115.787983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.787983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.787983 (E_RNA) where: Base-Base interactions energy: -73.723 where: short stacking energy: -30.361 Base-Backbone interact. energy: -0.000 local terms energy: -42.064775 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -115.352284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.352284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.352284 (E_RNA) where: Base-Base interactions energy: -72.747 where: short stacking energy: -34.136 Base-Backbone interact. energy: -0.101 local terms energy: -42.503692 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -8.795 flat angles C4'-P-C4' energy: -9.412 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -8.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -112.808735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.808735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.808735 (E_RNA) where: Base-Base interactions energy: -75.948 where: short stacking energy: -32.658 Base-Backbone interact. energy: -0.003 local terms energy: -36.858307 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -0.248 tors. eta vs tors. theta energy: -8.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -110.140719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.140719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.140719 (E_RNA) where: Base-Base interactions energy: -67.958 where: short stacking energy: -26.014 Base-Backbone interact. energy: -0.997 local terms energy: -41.186276 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -8.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -98.419462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.419462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.419462 (E_RNA) where: Base-Base interactions energy: -62.620 where: short stacking energy: -20.573 Base-Backbone interact. energy: -0.685 local terms energy: -35.114188 where: bonds (distance) C4'-P energy: -7.938 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -10.273 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -2.993 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: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -64.676118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.676118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.676118 (E_RNA) where: Base-Base interactions energy: -29.739 where: short stacking energy: -29.739 Base-Backbone interact. energy: 0.881 local terms energy: -35.817597 where: bonds (distance) C4'-P energy: -9.565 bonds (distance) P-C4' energy: -9.227 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -9.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -48.594229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.594229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.594229 (E_RNA) where: Base-Base interactions energy: -24.156 where: short stacking energy: -24.156 Base-Backbone interact. energy: -0.217 local terms energy: -24.221333 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -3.698 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -0.506 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -62.811178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.811178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.811178 (E_RNA) where: Base-Base interactions energy: -31.925 where: short stacking energy: -20.097 Base-Backbone interact. energy: -0.001 local terms energy: -30.885124 where: bonds (distance) C4'-P energy: -6.476 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -7.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -63.778873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.778873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.778873 (E_RNA) where: Base-Base interactions energy: -32.339 where: short stacking energy: -14.754 Base-Backbone interact. energy: -1.515 local terms energy: -29.924802 where: bonds (distance) C4'-P energy: -6.195 bonds (distance) P-C4' energy: -8.982 flat angles C4'-P-C4' energy: -2.714 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -50.773960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.773960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.773960 (E_RNA) where: Base-Base interactions energy: -20.773 where: short stacking energy: -20.773 Base-Backbone interact. energy: -0.170 local terms energy: -29.831699 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -8.501 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: 0.670 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -120.940861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.940861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.940861 (E_RNA) where: Base-Base interactions energy: -82.134 where: short stacking energy: -32.704 Base-Backbone interact. energy: -0.020 local terms energy: -38.786179 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -10.533 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -8.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -111.750492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.750492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.750492 (E_RNA) where: Base-Base interactions energy: -68.581 where: short stacking energy: -31.614 Base-Backbone interact. energy: 0.175 local terms energy: -43.345034 where: bonds (distance) C4'-P energy: -8.439 bonds (distance) P-C4' energy: -9.467 flat angles C4'-P-C4' energy: -8.348 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -9.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -110.761311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.761311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.761311 (E_RNA) where: Base-Base interactions energy: -70.753 where: short stacking energy: -29.744 Base-Backbone interact. energy: -0.984 local terms energy: -39.023863 where: bonds (distance) C4'-P energy: -7.760 bonds (distance) P-C4' energy: -9.277 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -9.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -103.675134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.675134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.675134 (E_RNA) where: Base-Base interactions energy: -69.492 where: short stacking energy: -25.847 Base-Backbone interact. energy: -0.002 local terms energy: -34.181097 where: bonds (distance) C4'-P energy: -7.672 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -104.458586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.458586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.458586 (E_RNA) where: Base-Base interactions energy: -65.625 where: short stacking energy: -25.451 Base-Backbone interact. energy: -0.604 local terms energy: -38.229600 where: bonds (distance) C4'-P energy: -8.786 bonds (distance) P-C4' energy: -10.594 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -7.430 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: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -57.607145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.607145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.607145 (E_RNA) where: Base-Base interactions energy: -22.214 where: short stacking energy: -19.424 Base-Backbone interact. energy: -0.015 local terms energy: -35.378942 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -10.433 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -64.790416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.790416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.790416 (E_RNA) where: Base-Base interactions energy: -36.486 where: short stacking energy: -16.190 Base-Backbone interact. energy: -0.127 local terms energy: -28.177691 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.967 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -49.791671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.791671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.791671 (E_RNA) where: Base-Base interactions energy: -19.856 where: short stacking energy: -15.259 Base-Backbone interact. energy: -0.134 local terms energy: -29.801500 where: bonds (distance) C4'-P energy: -8.285 bonds (distance) P-C4' energy: -7.027 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -63.336673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.336673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.336673 (E_RNA) where: Base-Base interactions energy: -26.868 where: short stacking energy: -21.242 Base-Backbone interact. energy: -0.000 local terms energy: -36.468370 where: bonds (distance) C4'-P energy: -6.579 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -8.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -51.933833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.933833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.933833 (E_RNA) where: Base-Base interactions energy: -20.015 where: short stacking energy: -7.731 Base-Backbone interact. energy: -0.650 local terms energy: -31.269250 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -8.884 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: 0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -118.232638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.232638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.232638 (E_RNA) where: Base-Base interactions energy: -73.951 where: short stacking energy: -27.709 Base-Backbone interact. energy: -0.001 local terms energy: -44.280095 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -9.416 flat angles P-C4'-P energy: -5.927 tors. eta vs tors. theta energy: -10.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -118.362769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.362769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.362769 (E_RNA) where: Base-Base interactions energy: -78.901 where: short stacking energy: -34.005 Base-Backbone interact. energy: -0.017 local terms energy: -39.444261 where: bonds (distance) C4'-P energy: -8.199 bonds (distance) P-C4' energy: -9.277 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -10.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -110.356342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.356342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.356342 (E_RNA) where: Base-Base interactions energy: -71.706 where: short stacking energy: -32.680 Base-Backbone interact. energy: -0.000 local terms energy: -38.650316 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -10.921 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -6.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -109.464927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.464927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.464927 (E_RNA) where: Base-Base interactions energy: -71.645 where: short stacking energy: -28.914 Base-Backbone interact. energy: -0.207 local terms energy: -37.612231 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -101.741130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.741130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.741130 (E_RNA) where: Base-Base interactions energy: -62.133 where: short stacking energy: -27.002 Base-Backbone interact. energy: -0.099 local terms energy: -39.508801 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -7.779 flat angles C4'-P-C4' energy: -10.138 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -6.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -63.514377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.514377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.514377 (E_RNA) where: Base-Base interactions energy: -24.686 where: short stacking energy: -20.488 Base-Backbone interact. energy: -0.079 local terms energy: -38.749399 where: bonds (distance) C4'-P energy: -8.880 bonds (distance) P-C4' energy: -10.122 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -7.501 tors. eta vs tors. theta energy: -5.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -59.877768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.877768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.877768 (E_RNA) where: Base-Base interactions energy: -26.170 where: short stacking energy: -17.120 Base-Backbone interact. energy: -0.048 local terms energy: -33.659966 where: bonds (distance) C4'-P energy: -5.523 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -9.069 flat angles P-C4'-P energy: -6.868 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -54.386180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.386180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.386180 (E_RNA) where: Base-Base interactions energy: -20.690 where: short stacking energy: -20.690 Base-Backbone interact. energy: -0.571 local terms energy: -33.125637 where: bonds (distance) C4'-P energy: -3.446 bonds (distance) P-C4' energy: -11.099 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -48.072377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.072377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.072377 (E_RNA) where: Base-Base interactions energy: -19.991 where: short stacking energy: -19.991 Base-Backbone interact. energy: -0.036 local terms energy: -28.045452 where: bonds (distance) C4'-P energy: -8.621 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -47.300784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.300784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.300784 (E_RNA) where: Base-Base interactions energy: -13.328 where: short stacking energy: -12.815 Base-Backbone interact. energy: -0.169 local terms energy: -33.804006 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -116.377475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.377475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.377475 (E_RNA) where: Base-Base interactions energy: -73.873 where: short stacking energy: -34.644 Base-Backbone interact. energy: -0.342 local terms energy: -42.162606 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -11.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -107.559660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.559660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.559660 (E_RNA) where: Base-Base interactions energy: -67.942 where: short stacking energy: -21.513 Base-Backbone interact. energy: -0.073 local terms energy: -39.544936 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -119.848552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.848552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.848552 (E_RNA) where: Base-Base interactions energy: -82.019 where: short stacking energy: -35.461 Base-Backbone interact. energy: -0.004 local terms energy: -37.825706 where: bonds (distance) C4'-P energy: -9.473 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -10.159 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -6.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -111.717282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.717282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.717282 (E_RNA) where: Base-Base interactions energy: -69.417 where: short stacking energy: -30.059 Base-Backbone interact. energy: -1.021 local terms energy: -41.279399 where: bonds (distance) C4'-P energy: -9.288 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.999 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -7.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -112.925464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.925464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.925464 (E_RNA) where: Base-Base interactions energy: -75.642 where: short stacking energy: -30.565 Base-Backbone interact. energy: -0.879 local terms energy: -36.404339 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -54.585493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.585493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.585493 (E_RNA) where: Base-Base interactions energy: -19.091 where: short stacking energy: -9.663 Base-Backbone interact. energy: -0.133 local terms energy: -35.361607 where: bonds (distance) C4'-P energy: -6.745 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -9.249 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -65.010130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.010130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.010130 (E_RNA) where: Base-Base interactions energy: -33.506 where: short stacking energy: -13.419 Base-Backbone interact. energy: -0.526 local terms energy: -30.978401 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -9.792 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -60.354701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.354701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.354701 (E_RNA) where: Base-Base interactions energy: -26.742 where: short stacking energy: -18.305 Base-Backbone interact. energy: -0.005 local terms energy: -33.608144 where: bonds (distance) C4'-P energy: -8.538 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -9.328 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -58.326742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.326742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.326742 (E_RNA) where: Base-Base interactions energy: -33.436 where: short stacking energy: -8.101 Base-Backbone interact. energy: -0.449 local terms energy: -24.441886 where: bonds (distance) C4'-P energy: -7.412 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: 1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -44.459032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.459032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.459032 (E_RNA) where: Base-Base interactions energy: -22.458 where: short stacking energy: -14.870 Base-Backbone interact. energy: 0.854 local terms energy: -22.855431 where: bonds (distance) C4'-P energy: -8.752 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -0.711 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -114.718530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.718530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.718530 (E_RNA) where: Base-Base interactions energy: -72.126 where: short stacking energy: -34.689 Base-Backbone interact. energy: -1.131 local terms energy: -41.461375 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -9.364 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -110.365301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.365301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.365301 (E_RNA) where: Base-Base interactions energy: -72.221 where: short stacking energy: -27.749 Base-Backbone interact. energy: -0.004 local terms energy: -38.140252 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -7.825 flat angles C4'-P-C4' energy: -9.904 flat angles P-C4'-P energy: -1.093 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -107.779160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.779160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.779160 (E_RNA) where: Base-Base interactions energy: -70.546 where: short stacking energy: -28.099 Base-Backbone interact. energy: -0.498 local terms energy: -36.734587 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: -8.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -112.227525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.227525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.227525 (E_RNA) where: Base-Base interactions energy: -72.571 where: short stacking energy: -28.744 Base-Backbone interact. energy: -0.025 local terms energy: -39.631476 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -6.071 tors. eta vs tors. theta energy: -7.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -107.421191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.421191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.421191 (E_RNA) where: Base-Base interactions energy: -66.999 where: short stacking energy: -26.806 Base-Backbone interact. energy: -0.093 local terms energy: -40.329262 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -97.837236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.837236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.837236 (E_RNA) where: Base-Base interactions energy: -64.097 where: short stacking energy: -25.514 Base-Backbone interact. energy: -0.050 local terms energy: -33.690584 where: bonds (distance) C4'-P energy: -5.569 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -9.101 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -56.766124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.766124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.766124 (E_RNA) where: Base-Base interactions energy: -22.426 where: short stacking energy: -22.426 Base-Backbone interact. energy: -0.000 local terms energy: -34.340259 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -1.855 flat angles P-C4'-P energy: -8.021 tors. eta vs tors. theta energy: -5.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -58.324229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.324229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.324229 (E_RNA) where: Base-Base interactions energy: -25.967 where: short stacking energy: -24.546 Base-Backbone interact. energy: -0.003 local terms energy: -32.353989 where: bonds (distance) C4'-P energy: -5.321 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -52.275977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.275977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.275977 (E_RNA) where: Base-Base interactions energy: -20.082 where: short stacking energy: -15.409 Base-Backbone interact. energy: -0.116 local terms energy: -32.078374 where: bonds (distance) C4'-P energy: -9.510 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -47.905401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.905401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.905401 (E_RNA) where: Base-Base interactions energy: -12.790 where: short stacking energy: -9.230 Base-Backbone interact. energy: -0.116 local terms energy: -34.999559 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.332 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -2.156 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -117.328626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.328626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.328626 (E_RNA) where: Base-Base interactions energy: -74.828 where: short stacking energy: -34.391 Base-Backbone interact. energy: -0.000 local terms energy: -42.500008 where: bonds (distance) C4'-P energy: -8.658 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -9.207 flat angles P-C4'-P energy: -5.536 tors. eta vs tors. theta energy: -9.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -111.254716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.254716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.254716 (E_RNA) where: Base-Base interactions energy: -69.672 where: short stacking energy: -32.280 Base-Backbone interact. energy: -0.025 local terms energy: -41.558213 where: bonds (distance) C4'-P energy: -8.976 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -9.865 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -6.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -114.079042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.079042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.079042 (E_RNA) where: Base-Base interactions energy: -70.587 where: short stacking energy: -32.319 Base-Backbone interact. energy: -0.000 local terms energy: -43.491746 where: bonds (distance) C4'-P energy: -8.625 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -10.789 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -9.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -108.163467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.163467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.163467 (E_RNA) where: Base-Base interactions energy: -69.765 where: short stacking energy: -34.650 Base-Backbone interact. energy: -0.289 local terms energy: -38.109304 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -10.334 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -8.361 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: 5, replica: 10 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -103.463489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.463489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.463489 (E_RNA) where: Base-Base interactions energy: -68.131 where: short stacking energy: -25.912 Base-Backbone interact. energy: -0.060 local terms energy: -35.272537 where: bonds (distance) C4'-P energy: -10.500 bonds (distance) P-C4' energy: -10.563 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -1.819 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -101.992449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.992449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.992449 (E_RNA) where: Base-Base interactions energy: -71.140 where: short stacking energy: -27.848 Base-Backbone interact. energy: -0.910 local terms energy: -29.942619 where: bonds (distance) C4'-P energy: -6.547 bonds (distance) P-C4' energy: -7.819 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -5.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -58.393501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.393501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.393501 (E_RNA) where: Base-Base interactions energy: -22.708 where: short stacking energy: -22.708 Base-Backbone interact. energy: -0.120 local terms energy: -35.565358 where: bonds (distance) C4'-P energy: -8.658 bonds (distance) P-C4' energy: -9.252 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -51.067478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.067478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.067478 (E_RNA) where: Base-Base interactions energy: -19.466 where: short stacking energy: -19.451 Base-Backbone interact. energy: -0.031 local terms energy: -31.569868 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -10.820 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -1.899 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: 6 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -50.403776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.403776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.403776 (E_RNA) where: Base-Base interactions energy: -18.944 where: short stacking energy: -14.850 Base-Backbone interact. energy: -0.177 local terms energy: -31.283151 where: bonds (distance) C4'-P energy: -9.466 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -52.378933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.378933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.378933 (E_RNA) where: Base-Base interactions energy: -19.999 where: short stacking energy: -19.999 Base-Backbone interact. energy: -0.066 local terms energy: -32.314639 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -10.129 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -3.661 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -124.524386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.524386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.524386 (E_RNA) where: Base-Base interactions energy: -76.209 where: short stacking energy: -38.187 Base-Backbone interact. energy: 0.146 local terms energy: -48.461366 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -10.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -118.588168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.588168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.588168 (E_RNA) where: Base-Base interactions energy: -74.143 where: short stacking energy: -35.792 Base-Backbone interact. energy: -0.000 local terms energy: -44.444769 where: bonds (distance) C4'-P energy: -8.935 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -9.966 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -9.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -115.664247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.664247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.664247 (E_RNA) where: Base-Base interactions energy: -81.579 where: short stacking energy: -31.709 Base-Backbone interact. energy: -0.033 local terms energy: -34.052242 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -6.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -107.861924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.861924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.861924 (E_RNA) where: Base-Base interactions energy: -65.479 where: short stacking energy: -32.781 Base-Backbone interact. energy: -0.129 local terms energy: -42.254479 where: bonds (distance) C4'-P energy: -8.091 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -10.787 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -106.678161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.678161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.678161 (E_RNA) where: Base-Base interactions energy: -66.765 where: short stacking energy: -29.395 Base-Backbone interact. energy: -0.159 local terms energy: -39.753928 where: bonds (distance) C4'-P energy: -6.522 bonds (distance) P-C4' energy: -9.997 flat angles C4'-P-C4' energy: -9.141 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -7.906 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: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -104.474512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.474512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.474512 (E_RNA) where: Base-Base interactions energy: -67.671 where: short stacking energy: -30.846 Base-Backbone interact. energy: -0.009 local terms energy: -36.794447 where: bonds (distance) C4'-P energy: -8.451 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -58.276816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.276816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.276816 (E_RNA) where: Base-Base interactions energy: -28.037 where: short stacking energy: -13.378 Base-Backbone interact. energy: -0.116 local terms energy: -30.123398 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -5.829 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -51.404581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.404581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.404581 (E_RNA) where: Base-Base interactions energy: -22.854 where: short stacking energy: -22.854 Base-Backbone interact. energy: -0.101 local terms energy: -28.449842 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -4.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -52.278195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.278195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.278195 (E_RNA) where: Base-Base interactions energy: -19.366 where: short stacking energy: -19.366 Base-Backbone interact. energy: -0.058 local terms energy: -32.853877 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -8.276 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -51.863308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.863308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.863308 (E_RNA) where: Base-Base interactions energy: -20.868 where: short stacking energy: -20.868 Base-Backbone interact. energy: -0.057 local terms energy: -30.938230 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -6.421 flat angles C4'-P-C4' energy: -10.589 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -116.113603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.113603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.113603 (E_RNA) where: Base-Base interactions energy: -72.128 where: short stacking energy: -35.828 Base-Backbone interact. energy: -0.274 local terms energy: -43.711457 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -10.016 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -9.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -111.451276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.451276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.451276 (E_RNA) where: Base-Base interactions energy: -70.949 where: short stacking energy: -33.702 Base-Backbone interact. energy: -0.006 local terms energy: -40.496385 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -120.427452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.427452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.427452 (E_RNA) where: Base-Base interactions energy: -77.478 where: short stacking energy: -29.218 Base-Backbone interact. energy: -0.366 local terms energy: -42.582916 where: bonds (distance) C4'-P energy: -9.680 bonds (distance) P-C4' energy: -7.694 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -109.564149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.564149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.564149 (E_RNA) where: Base-Base interactions energy: -73.160 where: short stacking energy: -26.420 Base-Backbone interact. energy: -0.081 local terms energy: -36.323021 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -10.109 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -1.450 tors. eta vs tors. theta energy: -8.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -109.125090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.125090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.125090 (E_RNA) where: Base-Base interactions energy: -69.468 where: short stacking energy: -30.756 Base-Backbone interact. energy: -0.083 local terms energy: -39.573927 where: bonds (distance) C4'-P energy: -7.400 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -7.505 tors. eta vs tors. theta energy: -7.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -106.173174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.173174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.173174 (E_RNA) where: Base-Base interactions energy: -67.505 where: short stacking energy: -27.085 Base-Backbone interact. energy: -0.014 local terms energy: -38.653627 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -8.489 flat angles C4'-P-C4' energy: -9.817 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -6.058 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: 436 Temperature: 1.200000 Total energy: -72.935521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.935521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.935521 (E_RNA) where: Base-Base interactions energy: -36.913 where: short stacking energy: -20.511 Base-Backbone interact. energy: -0.045 local terms energy: -35.977924 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -10.229 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -48.206609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.206609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.206609 (E_RNA) where: Base-Base interactions energy: -13.460 where: short stacking energy: -13.460 Base-Backbone interact. energy: -0.021 local terms energy: -34.725777 where: bonds (distance) C4'-P energy: -8.021 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -49.475760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.475760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.475760 (E_RNA) where: Base-Base interactions energy: -22.864 where: short stacking energy: -22.864 Base-Backbone interact. energy: -0.162 local terms energy: -26.449706 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: 0.011 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -2.000 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: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -58.987342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.987342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.987342 (E_RNA) where: Base-Base interactions energy: -22.272 where: short stacking energy: -21.222 Base-Backbone interact. energy: -0.165 local terms energy: -36.549638 where: bonds (distance) C4'-P energy: -7.105 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -118.261007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.261007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.261007 (E_RNA) where: Base-Base interactions energy: -75.238 where: short stacking energy: -35.157 Base-Backbone interact. energy: -0.083 local terms energy: -42.939964 where: bonds (distance) C4'-P energy: -8.240 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -9.593 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: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -113.862599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.862599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.862599 (E_RNA) where: Base-Base interactions energy: -70.724 where: short stacking energy: -27.881 Base-Backbone interact. energy: -0.004 local terms energy: -43.134846 where: bonds (distance) C4'-P energy: -8.302 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -10.287 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -10.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -108.063487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.063487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.063487 (E_RNA) where: Base-Base interactions energy: -73.664 where: short stacking energy: -30.348 Base-Backbone interact. energy: -0.159 local terms energy: -34.240329 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: 0.318 tors. eta vs tors. theta energy: -6.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -107.811403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.811403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.811403 (E_RNA) where: Base-Base interactions energy: -73.881 where: short stacking energy: -33.690 Base-Backbone interact. energy: -0.169 local terms energy: -33.760878 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -6.065 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: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -104.643300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.643300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.643300 (E_RNA) where: Base-Base interactions energy: -70.525 where: short stacking energy: -24.526 Base-Backbone interact. energy: -0.256 local terms energy: -33.861945 where: bonds (distance) C4'-P energy: -8.413 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -100.835757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.835757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.835757 (E_RNA) where: Base-Base interactions energy: -61.466 where: short stacking energy: -22.827 Base-Backbone interact. energy: -0.215 local terms energy: -39.154390 where: bonds (distance) C4'-P energy: -6.290 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -8.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -52.258273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.258273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.258273 (E_RNA) where: Base-Base interactions energy: -21.076 where: short stacking energy: -11.639 Base-Backbone interact. energy: -0.108 local terms energy: -31.073739 where: bonds (distance) C4'-P energy: -8.786 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -63.568937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.568937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.568937 (E_RNA) where: Base-Base interactions energy: -28.616 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.031 local terms energy: -34.921984 where: bonds (distance) C4'-P energy: -8.902 bonds (distance) P-C4' energy: -9.305 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -2.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -48.696845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.696845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.696845 (E_RNA) where: Base-Base interactions energy: -21.142 where: short stacking energy: -21.142 Base-Backbone interact. energy: -0.001 local terms energy: -27.553181 where: bonds (distance) C4'-P energy: -4.195 bonds (distance) P-C4' energy: -9.897 flat angles C4'-P-C4' energy: -9.739 flat angles P-C4'-P energy: -1.554 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -48.770864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.770864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.770864 (E_RNA) where: Base-Base interactions energy: -16.904 where: short stacking energy: -16.648 Base-Backbone interact. energy: -0.001 local terms energy: -31.866406 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -1.925 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -124.300030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.300030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.300030 (E_RNA) where: Base-Base interactions energy: -77.303 where: short stacking energy: -34.540 Base-Backbone interact. energy: -1.046 local terms energy: -45.950995 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -9.161 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -10.094 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: 7 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -114.590502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.590502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.590502 (E_RNA) where: Base-Base interactions energy: -72.673 where: short stacking energy: -33.131 Base-Backbone interact. energy: -1.048 local terms energy: -40.869217 where: bonds (distance) C4'-P energy: -8.204 bonds (distance) P-C4' energy: -10.296 flat angles C4'-P-C4' energy: -8.720 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -9.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -110.127598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.127598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.127598 (E_RNA) where: Base-Base interactions energy: -68.806 where: short stacking energy: -32.528 Base-Backbone interact. energy: -0.000 local terms energy: -41.321398 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -9.280 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -108.059940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.059940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.059940 (E_RNA) where: Base-Base interactions energy: -73.937 where: short stacking energy: -32.089 Base-Backbone interact. energy: -0.955 local terms energy: -33.167747 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -9.865 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -108.558927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.558927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.558927 (E_RNA) where: Base-Base interactions energy: -71.470 where: short stacking energy: -24.214 Base-Backbone interact. energy: -0.113 local terms energy: -36.976136 where: bonds (distance) C4'-P energy: -8.513 bonds (distance) P-C4' energy: -7.543 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -103.728600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.728600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.728600 (E_RNA) where: Base-Base interactions energy: -66.365 where: short stacking energy: -29.789 Base-Backbone interact. energy: 0.742 local terms energy: -38.106008 where: bonds (distance) C4'-P energy: -7.635 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -9.972 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -57.440819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.440819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.440819 (E_RNA) where: Base-Base interactions energy: -26.789 where: short stacking energy: -21.435 Base-Backbone interact. energy: -0.351 local terms energy: -30.301043 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -7.992 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -48.937531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.937531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.937531 (E_RNA) where: Base-Base interactions energy: -15.167 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.003 local terms energy: -33.768155 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -8.365 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -51.751456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.751456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.751456 (E_RNA) where: Base-Base interactions energy: -18.914 where: short stacking energy: -13.528 Base-Backbone interact. energy: -0.209 local terms energy: -32.629088 where: bonds (distance) C4'-P energy: -8.248 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: 1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -51.171321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.171321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.171321 (E_RNA) where: Base-Base interactions energy: -19.944 where: short stacking energy: -19.944 Base-Backbone interact. energy: -0.060 local terms energy: -31.166850 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -9.883 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -117.300980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.300980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.300980 (E_RNA) where: Base-Base interactions energy: -75.639 where: short stacking energy: -32.750 Base-Backbone interact. energy: 0.262 local terms energy: -41.923160 where: bonds (distance) C4'-P energy: -8.285 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -10.251 flat angles P-C4'-P energy: -6.691 tors. eta vs tors. theta energy: -5.848 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: 1 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -121.237387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.237387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.237387 (E_RNA) where: Base-Base interactions energy: -84.821 where: short stacking energy: -33.321 Base-Backbone interact. energy: -0.047 local terms energy: -36.369549 where: bonds (distance) C4'-P energy: -9.304 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -9.381 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: 3, replica: 7 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -103.012613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.012613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.012613 (E_RNA) where: Base-Base interactions energy: -64.455 where: short stacking energy: -29.546 Base-Backbone interact. energy: -0.010 local terms energy: -38.547858 where: bonds (distance) C4'-P energy: -8.575 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -9.460 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -114.253329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.253329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.253329 (E_RNA) where: Base-Base interactions energy: -70.910 where: short stacking energy: -32.687 Base-Backbone interact. energy: -0.295 local terms energy: -43.049165 where: bonds (distance) C4'-P energy: -7.946 bonds (distance) P-C4' energy: -9.500 flat angles C4'-P-C4' energy: -9.058 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -10.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -108.772726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.772726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.772726 (E_RNA) where: Base-Base interactions energy: -69.215 where: short stacking energy: -28.731 Base-Backbone interact. energy: -0.120 local terms energy: -39.438648 where: bonds (distance) C4'-P energy: -9.619 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -9.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -107.038735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.038735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.038735 (E_RNA) where: Base-Base interactions energy: -73.761 where: short stacking energy: -28.543 Base-Backbone interact. energy: -0.394 local terms energy: -32.884358 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -7.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -63.369734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.369734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.369734 (E_RNA) where: Base-Base interactions energy: -25.587 where: short stacking energy: -17.844 Base-Backbone interact. energy: -1.758 local terms energy: -36.024113 where: bonds (distance) C4'-P energy: -8.910 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -68.391780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.391780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.391780 (E_RNA) where: Base-Base interactions energy: -41.423 where: short stacking energy: -13.305 Base-Backbone interact. energy: -0.174 local terms energy: -26.794231 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -3.012 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: 0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -65.371924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.371924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.371924 (E_RNA) where: Base-Base interactions energy: -27.162 where: short stacking energy: -19.369 Base-Backbone interact. energy: -0.058 local terms energy: -38.151266 where: bonds (distance) C4'-P energy: -7.858 bonds (distance) P-C4' energy: -8.610 flat angles C4'-P-C4' energy: -8.656 flat angles P-C4'-P energy: -6.654 tors. eta vs tors. theta energy: -6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -46.189272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.189272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.189272 (E_RNA) where: Base-Base interactions energy: -10.361 where: short stacking energy: -10.361 Base-Backbone interact. energy: 0.517 local terms energy: -36.345286 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -9.868 flat angles C4'-P-C4' energy: -9.242 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -0.869 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -114.103461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.103461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.103461 (E_RNA) where: Base-Base interactions energy: -71.342 where: short stacking energy: -33.538 Base-Backbone interact. energy: -0.003 local terms energy: -42.758257 where: bonds (distance) C4'-P energy: -9.234 bonds (distance) P-C4' energy: -9.662 flat angles C4'-P-C4' energy: -10.723 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -7.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -119.675291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.675291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.675291 (E_RNA) where: Base-Base interactions energy: -74.143 where: short stacking energy: -36.225 Base-Backbone interact. energy: -0.005 local terms energy: -45.527542 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -10.902 flat angles P-C4'-P energy: -6.929 tors. eta vs tors. theta energy: -8.621 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: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -115.547475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.547475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.547475 (E_RNA) where: Base-Base interactions energy: -74.311 where: short stacking energy: -32.918 Base-Backbone interact. energy: -0.007 local terms energy: -41.229919 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -9.390 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -9.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -104.288530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.288530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.288530 (E_RNA) where: Base-Base interactions energy: -63.316 where: short stacking energy: -26.082 Base-Backbone interact. energy: -0.002 local terms energy: -40.970536 where: bonds (distance) C4'-P energy: -10.123 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -6.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -105.658068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.658068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.658068 (E_RNA) where: Base-Base interactions energy: -65.149 where: short stacking energy: -26.273 Base-Backbone interact. energy: -1.149 local terms energy: -39.360179 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -9.411 flat angles C4'-P-C4' energy: -8.753 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -98.150817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.150817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.150817 (E_RNA) where: Base-Base interactions energy: -61.846 where: short stacking energy: -26.380 Base-Backbone interact. energy: -0.314 local terms energy: -35.990088 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -9.303 flat angles C4'-P-C4' energy: -9.738 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -6.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -57.097839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.097839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.097839 (E_RNA) where: Base-Base interactions energy: -25.655 where: short stacking energy: -20.949 Base-Backbone interact. energy: -0.000 local terms energy: -31.443062 where: bonds (distance) C4'-P energy: -8.616 bonds (distance) P-C4' energy: -8.518 flat angles C4'-P-C4' energy: -9.766 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -53.391090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.391090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.391090 (E_RNA) where: Base-Base interactions energy: -27.422 where: short stacking energy: -12.297 Base-Backbone interact. energy: -0.159 local terms energy: -25.810730 where: bonds (distance) C4'-P energy: -8.517 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -0.610 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -61.532084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.532084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.532084 (E_RNA) where: Base-Base interactions energy: -30.090 where: short stacking energy: -18.179 Base-Backbone interact. energy: 0.543 local terms energy: -31.985793 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -50.933672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.933672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.933672 (E_RNA) where: Base-Base interactions energy: -18.725 where: short stacking energy: -18.540 Base-Backbone interact. energy: -0.080 local terms energy: -32.129296 where: bonds (distance) C4'-P energy: -7.904 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -8.861 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -118.010258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.010258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.010258 (E_RNA) where: Base-Base interactions energy: -79.750 where: short stacking energy: -32.246 Base-Backbone interact. energy: -0.376 local terms energy: -37.883483 where: bonds (distance) C4'-P energy: -7.896 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -9.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -109.890612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.890612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.890612 (E_RNA) where: Base-Base interactions energy: -73.907 where: short stacking energy: -27.575 Base-Backbone interact. energy: -0.365 local terms energy: -35.618056 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -6.616 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -114.499002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.499002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.499002 (E_RNA) where: Base-Base interactions energy: -71.787 where: short stacking energy: -33.839 Base-Backbone interact. energy: -0.237 local terms energy: -42.475260 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -7.651 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -7.816 tors. eta vs tors. theta energy: -8.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -116.886915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.886915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.886915 (E_RNA) where: Base-Base interactions energy: -76.511 where: short stacking energy: -30.353 Base-Backbone interact. energy: -0.339 local terms energy: -40.037279 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -5.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -107.350196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.350196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.350196 (E_RNA) where: Base-Base interactions energy: -70.267 where: short stacking energy: -30.043 Base-Backbone interact. energy: -0.001 local terms energy: -37.082894 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -52.427553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.427553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.427553 (E_RNA) where: Base-Base interactions energy: -22.826 where: short stacking energy: -16.240 Base-Backbone interact. energy: -0.619 local terms energy: -28.982823 where: bonds (distance) C4'-P energy: -6.741 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -60.388703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.388703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.388703 (E_RNA) where: Base-Base interactions energy: -28.056 where: short stacking energy: -20.598 Base-Backbone interact. energy: -0.032 local terms energy: -32.300615 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -4.586 flat angles C4'-P-C4' energy: -8.012 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -6.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -59.957611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.957611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.957611 (E_RNA) where: Base-Base interactions energy: -23.543 where: short stacking energy: -16.876 Base-Backbone interact. energy: -0.044 local terms energy: -36.370939 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -58.462540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.462540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.462540 (E_RNA) where: Base-Base interactions energy: -24.896 where: short stacking energy: -24.896 Base-Backbone interact. energy: -0.098 local terms energy: -33.469232 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -7.020 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -48.208778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.208778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.208778 (E_RNA) where: Base-Base interactions energy: -13.518 where: short stacking energy: -8.121 Base-Backbone interact. energy: -0.080 local terms energy: -34.610905 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -8.944 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)