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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/BYH-42263909/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-42263909/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -58.254321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.254321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.254321 (E_RNA) where: Base-Base interactions energy: -24.552 where: short stacking energy: -17.281 Base-Backbone interact. energy: -0.100 local terms energy: -33.602962 where: bonds (distance) C4'-P energy: -5.084 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -66.706066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.706066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.706066 (E_RNA) where: Base-Base interactions energy: -30.669 where: short stacking energy: -30.669 Base-Backbone interact. energy: -0.000 local terms energy: -36.036922 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -58.299789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.299789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.299789 (E_RNA) where: Base-Base interactions energy: -25.854 where: short stacking energy: -23.246 Base-Backbone interact. energy: -0.038 local terms energy: -32.407846 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -52.067396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.067396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.067396 (E_RNA) where: Base-Base interactions energy: -20.131 where: short stacking energy: -19.124 Base-Backbone interact. energy: -0.041 local terms energy: -31.895570 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -5.777 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -56.750675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.750675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.750675 (E_RNA) where: Base-Base interactions energy: -29.181 where: short stacking energy: -20.790 Base-Backbone interact. energy: -0.021 local terms energy: -27.549002 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -58.213010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.213010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.213010 (E_RNA) where: Base-Base interactions energy: -29.739 where: short stacking energy: -26.895 Base-Backbone interact. energy: 0.069 local terms energy: -28.543442 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -7.060 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -49.993961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.993961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.993961 (E_RNA) where: Base-Base interactions energy: -18.934 where: short stacking energy: -18.934 Base-Backbone interact. energy: -0.001 local terms energy: -31.059290 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -49.469389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.469389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.469389 (E_RNA) where: Base-Base interactions energy: -22.950 where: short stacking energy: -22.950 Base-Backbone interact. energy: -0.000 local terms energy: -26.518817 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -2.960 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -42.361833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.361833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.361833 (E_RNA) where: Base-Base interactions energy: -17.485 where: short stacking energy: -9.893 Base-Backbone interact. energy: -0.139 local terms energy: -24.738276 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -39.778212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.778212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.778212 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -11.723 Base-Backbone interact. energy: -0.003 local terms energy: -28.452994 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -63.799230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.799230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.799230 (E_RNA) where: Base-Base interactions energy: -27.936 where: short stacking energy: -27.936 Base-Backbone interact. energy: -0.000 local terms energy: -35.862925 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -5.336 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: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -74.234172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.234172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.234172 (E_RNA) where: Base-Base interactions energy: -43.760 where: short stacking energy: -25.417 Base-Backbone interact. energy: 1.864 local terms energy: -32.337905 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -60.999538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.999538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.999538 (E_RNA) where: Base-Base interactions energy: -26.426 where: short stacking energy: -25.238 Base-Backbone interact. energy: -0.000 local terms energy: -34.573510 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -56.705630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.705630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.705630 (E_RNA) where: Base-Base interactions energy: -22.023 where: short stacking energy: -22.023 Base-Backbone interact. energy: -0.000 local terms energy: -34.682466 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -48.034895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.034895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.034895 (E_RNA) where: Base-Base interactions energy: -18.806 where: short stacking energy: -18.806 Base-Backbone interact. energy: -0.100 local terms energy: -29.128667 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -56.276096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.276096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.276096 (E_RNA) where: Base-Base interactions energy: -26.563 where: short stacking energy: -20.554 Base-Backbone interact. energy: -0.001 local terms energy: -29.711829 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -40.381938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.381938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.381938 (E_RNA) where: Base-Base interactions energy: -15.277 where: short stacking energy: -11.054 Base-Backbone interact. energy: -0.203 local terms energy: -24.901598 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -48.452544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.452544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.452544 (E_RNA) where: Base-Base interactions energy: -17.881 where: short stacking energy: -17.881 Base-Backbone interact. energy: -0.000 local terms energy: -30.571987 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -50.095754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.095754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.095754 (E_RNA) where: Base-Base interactions energy: -28.068 where: short stacking energy: -19.451 Base-Backbone interact. energy: -0.019 local terms energy: -22.008950 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: 3.737 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -40.259528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.259528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.259528 (E_RNA) where: Base-Base interactions energy: -18.526 where: short stacking energy: -9.070 Base-Backbone interact. energy: -0.149 local terms energy: -21.584918 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -1.956 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: 0.736 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: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -55.951160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.951160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.951160 (E_RNA) where: Base-Base interactions energy: -25.118 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.301 local terms energy: -30.532136 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -53.789179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.789179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.789179 (E_RNA) where: Base-Base interactions energy: -22.393 where: short stacking energy: -22.393 Base-Backbone interact. energy: -0.006 local terms energy: -31.389758 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.877 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -54.642744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.642744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.642744 (E_RNA) where: Base-Base interactions energy: -24.703 where: short stacking energy: -22.982 Base-Backbone interact. energy: -0.072 local terms energy: -29.867597 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -3.526 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: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -50.199958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.199958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.199958 (E_RNA) where: Base-Base interactions energy: -19.140 where: short stacking energy: -19.140 Base-Backbone interact. energy: -0.158 local terms energy: -30.902522 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -3.114 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: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -47.611350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.611350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.611350 (E_RNA) where: Base-Base interactions energy: -20.460 where: short stacking energy: -20.460 Base-Backbone interact. energy: -0.225 local terms energy: -26.925884 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.662 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -47.277307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.277307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.277307 (E_RNA) where: Base-Base interactions energy: -16.669 where: short stacking energy: -16.669 Base-Backbone interact. energy: -0.097 local terms energy: -30.511445 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -3.384 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: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -48.548873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.548873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.548873 (E_RNA) where: Base-Base interactions energy: -17.596 where: short stacking energy: -16.690 Base-Backbone interact. energy: -0.001 local terms energy: -30.952136 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -52.294135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.294135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.294135 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.021 local terms energy: -29.774339 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -0.858 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: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -41.348020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.348020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.348020 (E_RNA) where: Base-Base interactions energy: -16.315 where: short stacking energy: -16.315 Base-Backbone interact. energy: -0.014 local terms energy: -25.018912 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -42.582907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.582907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.582907 (E_RNA) where: Base-Base interactions energy: -21.213 where: short stacking energy: -16.597 Base-Backbone interact. energy: 0.247 local terms energy: -21.616862 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: 0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -62.966928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.966928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.966928 (E_RNA) where: Base-Base interactions energy: -26.928 where: short stacking energy: -26.928 Base-Backbone interact. energy: -0.000 local terms energy: -36.038854 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -7.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -59.691444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.691444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.691444 (E_RNA) where: Base-Base interactions energy: -22.852 where: short stacking energy: -22.852 Base-Backbone interact. energy: -0.493 local terms energy: -36.346281 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -58.258076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.258076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.258076 (E_RNA) where: Base-Base interactions energy: -24.862 where: short stacking energy: -22.423 Base-Backbone interact. energy: -0.001 local terms energy: -33.395281 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -5.974 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: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -57.385563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.385563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.385563 (E_RNA) where: Base-Base interactions energy: -24.631 where: short stacking energy: -24.631 Base-Backbone interact. energy: -0.001 local terms energy: -32.753646 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.700 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -4.597 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: 5 Temperature: 1.100000 Total energy: -58.383772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.383772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.383772 (E_RNA) where: Base-Base interactions energy: -21.923 where: short stacking energy: -21.923 Base-Backbone interact. energy: -0.000 local terms energy: -36.460526 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.501 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -6.859 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: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -47.806617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.806617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.806617 (E_RNA) where: Base-Base interactions energy: -17.194 where: short stacking energy: -17.194 Base-Backbone interact. energy: -0.000 local terms energy: -30.612733 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -6.722 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: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -57.748620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.748620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.748620 (E_RNA) where: Base-Base interactions energy: -30.202 where: short stacking energy: -19.551 Base-Backbone interact. energy: 0.880 local terms energy: -28.426511 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -44.620380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.620380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.620380 (E_RNA) where: Base-Base interactions energy: -16.539 where: short stacking energy: -16.539 Base-Backbone interact. energy: -0.047 local terms energy: -28.034518 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -5.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -47.011532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.011532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.011532 (E_RNA) where: Base-Base interactions energy: -17.150 where: short stacking energy: -17.150 Base-Backbone interact. energy: -0.003 local terms energy: -29.858371 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.901 flat angles P-C4'-P energy: -1.641 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -47.540958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.540958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.540958 (E_RNA) where: Base-Base interactions energy: -18.907 where: short stacking energy: -18.269 Base-Backbone interact. energy: 0.145 local terms energy: -28.779400 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -64.191096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.191096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.191096 (E_RNA) where: Base-Base interactions energy: -29.728 where: short stacking energy: -29.153 Base-Backbone interact. energy: -0.000 local terms energy: -34.463150 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -4.706 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: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -66.258405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.258405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.258405 (E_RNA) where: Base-Base interactions energy: -27.050 where: short stacking energy: -27.050 Base-Backbone interact. energy: -0.004 local terms energy: -39.203601 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -57.984414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.984414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.984414 (E_RNA) where: Base-Base interactions energy: -21.614 where: short stacking energy: -21.614 Base-Backbone interact. energy: -0.001 local terms energy: -36.369356 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -59.543970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.543970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.543970 (E_RNA) where: Base-Base interactions energy: -29.643 where: short stacking energy: -18.653 Base-Backbone interact. energy: -0.001 local terms energy: -29.900096 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -2.361 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: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -56.860273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.860273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.860273 (E_RNA) where: Base-Base interactions energy: -28.978 where: short stacking energy: -21.725 Base-Backbone interact. energy: -0.001 local terms energy: -27.882066 where: bonds (distance) C4'-P energy: -2.765 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -7.078 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: 6, replica: 2 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -50.577174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.577174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.577174 (E_RNA) where: Base-Base interactions energy: -20.150 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.041 local terms energy: -30.386307 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -52.602564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.602564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.602564 (E_RNA) where: Base-Base interactions energy: -20.154 where: short stacking energy: -20.154 Base-Backbone interact. energy: 0.554 local terms energy: -33.002099 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -4.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -46.648243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.648243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.648243 (E_RNA) where: Base-Base interactions energy: -18.605 where: short stacking energy: -18.605 Base-Backbone interact. energy: 0.929 local terms energy: -28.972091 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.711 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -0.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -52.789175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.789175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.789175 (E_RNA) where: Base-Base interactions energy: -35.440 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.113 local terms energy: -17.236330 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -0.472 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: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -43.902599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.902599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.902599 (E_RNA) where: Base-Base interactions energy: -14.438 where: short stacking energy: -14.438 Base-Backbone interact. energy: -0.084 local terms energy: -29.380116 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -74.732030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.732030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.732030 (E_RNA) where: Base-Base interactions energy: -33.775 where: short stacking energy: -33.775 Base-Backbone interact. energy: -0.000 local terms energy: -40.957335 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -11.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -67.014749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.014749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.014749 (E_RNA) where: Base-Base interactions energy: -27.209 where: short stacking energy: -27.209 Base-Backbone interact. energy: -0.000 local terms energy: -39.805706 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -7.111 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: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -61.075973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.075973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.075973 (E_RNA) where: Base-Base interactions energy: -22.337 where: short stacking energy: -22.337 Base-Backbone interact. energy: -0.000 local terms energy: -38.738715 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -6.958 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -62.405761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.405761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.405761 (E_RNA) where: Base-Base interactions energy: -27.272 where: short stacking energy: -21.271 Base-Backbone interact. energy: -0.010 local terms energy: -35.124349 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -7.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -51.721856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.721856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.721856 (E_RNA) where: Base-Base interactions energy: -21.430 where: short stacking energy: -21.371 Base-Backbone interact. energy: -0.001 local terms energy: -30.290195 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.606 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: 6, replica: 2 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -49.901003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.901003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.901003 (E_RNA) where: Base-Base interactions energy: -18.221 where: short stacking energy: -18.221 Base-Backbone interact. energy: -0.000 local terms energy: -31.679257 where: bonds (distance) C4'-P energy: -5.130 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -9.556 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -48.519683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.519683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.519683 (E_RNA) where: Base-Base interactions energy: -19.170 where: short stacking energy: -18.722 Base-Backbone interact. energy: -0.019 local terms energy: -29.330225 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -43.150820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.150820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.150820 (E_RNA) where: Base-Base interactions energy: -13.304 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.053 local terms energy: -29.794573 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: 1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -38.755170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.755170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.755170 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.001 local terms energy: -25.636382 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -4.967 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: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -37.838533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.838533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.838533 (E_RNA) where: Base-Base interactions energy: -9.692 where: short stacking energy: -9.692 Base-Backbone interact. energy: -0.037 local terms energy: -28.109262 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: 0.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -71.054120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.054120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.054120 (E_RNA) where: Base-Base interactions energy: -36.119 where: short stacking energy: -27.525 Base-Backbone interact. energy: -0.073 local terms energy: -34.861748 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -8.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -67.738405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.738405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.738405 (E_RNA) where: Base-Base interactions energy: -36.566 where: short stacking energy: -29.337 Base-Backbone interact. energy: -0.009 local terms energy: -31.163239 where: bonds (distance) C4'-P energy: -4.472 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -5.676 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: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -57.402780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.402780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.402780 (E_RNA) where: Base-Base interactions energy: -23.007 where: short stacking energy: -23.007 Base-Backbone interact. energy: -0.003 local terms energy: -34.392361 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -6.730 tors. eta vs tors. theta energy: -7.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -56.912351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.912351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.912351 (E_RNA) where: Base-Base interactions energy: -22.602 where: short stacking energy: -20.831 Base-Backbone interact. energy: 1.022 local terms energy: -35.332510 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -6.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -54.442791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.442791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.442791 (E_RNA) where: Base-Base interactions energy: -24.959 where: short stacking energy: -24.959 Base-Backbone interact. energy: -0.003 local terms energy: -29.481082 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -51.133543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.133543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.133543 (E_RNA) where: Base-Base interactions energy: -16.699 where: short stacking energy: -16.699 Base-Backbone interact. energy: -0.099 local terms energy: -34.336110 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -49.249412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.249412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.249412 (E_RNA) where: Base-Base interactions energy: -20.475 where: short stacking energy: -20.475 Base-Backbone interact. energy: -0.003 local terms energy: -28.771519 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -2.319 tors. eta vs tors. theta energy: -5.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -51.001210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.001210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.001210 (E_RNA) where: Base-Base interactions energy: -20.607 where: short stacking energy: -20.607 Base-Backbone interact. energy: -0.000 local terms energy: -30.394602 where: bonds (distance) C4'-P energy: -4.811 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -41.626057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.626057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.626057 (E_RNA) where: Base-Base interactions energy: -14.041 where: short stacking energy: -14.041 Base-Backbone interact. energy: -0.011 local terms energy: -27.574130 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -39.450505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.450505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.450505 (E_RNA) where: Base-Base interactions energy: -14.377 where: short stacking energy: -14.131 Base-Backbone interact. energy: -0.031 local terms energy: -25.042342 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -3.121 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -6.059 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: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -67.657111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.657111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.657111 (E_RNA) where: Base-Base interactions energy: -35.301 where: short stacking energy: -21.653 Base-Backbone interact. energy: -0.040 local terms energy: -32.315902 where: bonds (distance) C4'-P energy: -5.068 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -69.810691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.810691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.810691 (E_RNA) where: Base-Base interactions energy: -31.070 where: short stacking energy: -31.070 Base-Backbone interact. energy: -0.000 local terms energy: -38.740934 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.892 flat angles C4'-P-C4' energy: -8.485 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -8.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -52.385200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.385200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.385200 (E_RNA) where: Base-Base interactions energy: -21.363 where: short stacking energy: -20.930 Base-Backbone interact. energy: -0.087 local terms energy: -30.934493 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -60.848385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.848385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.848385 (E_RNA) where: Base-Base interactions energy: -25.559 where: short stacking energy: -25.559 Base-Backbone interact. energy: -0.012 local terms energy: -35.276559 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -5.830 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: 9 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -67.328388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.328388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.328388 (E_RNA) where: Base-Base interactions energy: -32.994 where: short stacking energy: -16.755 Base-Backbone interact. energy: -0.002 local terms energy: -34.332468 where: bonds (distance) C4'-P energy: -6.110 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -6.517 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -52.916745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.916745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.916745 (E_RNA) where: Base-Base interactions energy: -18.819 where: short stacking energy: -18.819 Base-Backbone interact. energy: -0.005 local terms energy: -34.092431 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -6.958 tors. eta vs tors. theta energy: -4.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -45.498086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.498086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.498086 (E_RNA) where: Base-Base interactions energy: -19.072 where: short stacking energy: -19.072 Base-Backbone interact. energy: -0.072 local terms energy: -26.353830 where: bonds (distance) C4'-P energy: -7.115 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -2.751 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: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -45.807175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.807175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.807175 (E_RNA) where: Base-Base interactions energy: -21.612 where: short stacking energy: -14.771 Base-Backbone interact. energy: -0.036 local terms energy: -24.158714 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -5.510 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -0.136 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -45.361617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.361617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.361617 (E_RNA) where: Base-Base interactions energy: -18.565 where: short stacking energy: -18.565 Base-Backbone interact. energy: -0.034 local terms energy: -26.762920 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.038 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) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -48.823379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.823379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.823379 (E_RNA) where: Base-Base interactions energy: -20.362 where: short stacking energy: -20.362 Base-Backbone interact. energy: -0.000 local terms energy: -28.461331 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.508 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.001 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: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -74.089220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.089220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.089220 (E_RNA) where: Base-Base interactions energy: -34.021 where: short stacking energy: -34.021 Base-Backbone interact. energy: -0.000 local terms energy: -40.068059 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -9.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -65.359884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.359884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.359884 (E_RNA) where: Base-Base interactions energy: -33.772 where: short stacking energy: -19.585 Base-Backbone interact. energy: -0.086 local terms energy: -31.502179 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -1.581 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: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -53.562800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.562800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.562800 (E_RNA) where: Base-Base interactions energy: -19.168 where: short stacking energy: -19.168 Base-Backbone interact. energy: -0.005 local terms energy: -34.389978 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -8.505 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -60.082137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.082137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.082137 (E_RNA) where: Base-Base interactions energy: -24.179 where: short stacking energy: -24.179 Base-Backbone interact. energy: -0.037 local terms energy: -35.866180 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -51.382902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.382902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.382902 (E_RNA) where: Base-Base interactions energy: -19.025 where: short stacking energy: -19.025 Base-Backbone interact. energy: -0.002 local terms energy: -32.356248 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -55.839009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.839009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.839009 (E_RNA) where: Base-Base interactions energy: -31.370 where: short stacking energy: -16.236 Base-Backbone interact. energy: -0.041 local terms energy: -24.427998 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -49.806021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.806021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.806021 (E_RNA) where: Base-Base interactions energy: -21.469 where: short stacking energy: -21.469 Base-Backbone interact. energy: -0.000 local terms energy: -28.337200 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -0.319 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -5.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -43.057764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.057764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.057764 (E_RNA) where: Base-Base interactions energy: -14.867 where: short stacking energy: -14.867 Base-Backbone interact. energy: -0.117 local terms energy: -28.073125 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -42.553121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.553121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.553121 (E_RNA) where: Base-Base interactions energy: -14.723 where: short stacking energy: -14.723 Base-Backbone interact. energy: -0.010 local terms energy: -27.820187 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -46.642247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.642247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.642247 (E_RNA) where: Base-Base interactions energy: -21.155 where: short stacking energy: -21.155 Base-Backbone interact. energy: -0.053 local terms energy: -25.434795 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -3.649 flat angles C4'-P-C4' energy: -8.830 flat angles P-C4'-P energy: -2.939 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: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -60.977577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.977577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.977577 (E_RNA) where: Base-Base interactions energy: -27.646 where: short stacking energy: -27.646 Base-Backbone interact. energy: -0.001 local terms energy: -33.330897 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -8.319 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -2.203 tors. eta vs tors. theta energy: -6.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -59.166041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.166041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.166041 (E_RNA) where: Base-Base interactions energy: -25.845 where: short stacking energy: -25.845 Base-Backbone interact. energy: -0.004 local terms energy: -33.317862 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -5.233 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: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -57.150011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.150011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.150011 (E_RNA) where: Base-Base interactions energy: -23.671 where: short stacking energy: -17.944 Base-Backbone interact. energy: -0.021 local terms energy: -33.458122 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -3.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -51.528813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.528813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.528813 (E_RNA) where: Base-Base interactions energy: -18.105 where: short stacking energy: -18.105 Base-Backbone interact. energy: -0.061 local terms energy: -33.362915 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -4.199 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: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -52.748080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.748080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.748080 (E_RNA) where: Base-Base interactions energy: -24.035 where: short stacking energy: -24.035 Base-Backbone interact. energy: -0.094 local terms energy: -28.619025 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -4.431 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: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -54.161829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.161829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.161829 (E_RNA) where: Base-Base interactions energy: -20.636 where: short stacking energy: -20.636 Base-Backbone interact. energy: -0.090 local terms energy: -33.435858 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -51.848609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.848609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.848609 (E_RNA) where: Base-Base interactions energy: -28.006 where: short stacking energy: -17.141 Base-Backbone interact. energy: -0.061 local terms energy: -23.781095 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -1.139 tors. eta vs tors. theta energy: -2.849 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: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -42.372526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.372526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.372526 (E_RNA) where: Base-Base interactions energy: -15.040 where: short stacking energy: -15.040 Base-Backbone interact. energy: -0.094 local terms energy: -27.238081 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -52.003770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.003770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.003770 (E_RNA) where: Base-Base interactions energy: -20.597 where: short stacking energy: -20.597 Base-Backbone interact. energy: -0.000 local terms energy: -31.406580 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -6.923 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -37.266802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.266802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.266802 (E_RNA) where: Base-Base interactions energy: -9.561 where: short stacking energy: -9.353 Base-Backbone interact. energy: -0.099 local terms energy: -27.606765 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -1.838 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: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -64.514038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.514038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.514038 (E_RNA) where: Base-Base interactions energy: -30.012 where: short stacking energy: -30.012 Base-Backbone interact. energy: -0.620 local terms energy: -33.881685 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -7.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -62.996620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.996620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.996620 (E_RNA) where: Base-Base interactions energy: -26.830 where: short stacking energy: -24.500 Base-Backbone interact. energy: -0.000 local terms energy: -36.166536 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -6.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -63.090818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.090818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.090818 (E_RNA) where: Base-Base interactions energy: -30.899 where: short stacking energy: -27.908 Base-Backbone interact. energy: -0.000 local terms energy: -32.191665 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -5.569 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: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -69.234901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.234901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.234901 (E_RNA) where: Base-Base interactions energy: -34.119 where: short stacking energy: -34.119 Base-Backbone interact. energy: -0.000 local terms energy: -35.115827 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -2.951 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -11.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -55.756762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.756762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.756762 (E_RNA) where: Base-Base interactions energy: -22.187 where: short stacking energy: -21.335 Base-Backbone interact. energy: 0.497 local terms energy: -34.066640 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -6.187 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: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -51.556408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.556408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.556408 (E_RNA) where: Base-Base interactions energy: -23.173 where: short stacking energy: -23.173 Base-Backbone interact. energy: -0.082 local terms energy: -28.301058 where: bonds (distance) C4'-P energy: -3.461 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -43.665721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.665721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.665721 (E_RNA) where: Base-Base interactions energy: -19.691 where: short stacking energy: -19.691 Base-Backbone interact. energy: -0.297 local terms energy: -23.677069 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -5.454 flat angles C4'-P-C4' energy: -3.173 flat angles P-C4'-P energy: -4.883 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: 12 Temperature: 1.250000 Total energy: -49.812867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.812867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.812867 (E_RNA) where: Base-Base interactions energy: -17.612 where: short stacking energy: -17.612 Base-Backbone interact. energy: -0.044 local terms energy: -32.157148 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -49.991959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.991959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.991959 (E_RNA) where: Base-Base interactions energy: -21.137 where: short stacking energy: -13.420 Base-Backbone interact. energy: -0.002 local terms energy: -28.853474 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -54.147677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.147677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.147677 (E_RNA) where: Base-Base interactions energy: -21.991 where: short stacking energy: -10.736 Base-Backbone interact. energy: -0.021 local terms energy: -32.135955 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.534 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -61.025309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.025309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.025309 (E_RNA) where: Base-Base interactions energy: -29.102 where: short stacking energy: -29.102 Base-Backbone interact. energy: -0.052 local terms energy: -31.871417 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -66.871580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.871580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.871580 (E_RNA) where: Base-Base interactions energy: -34.127 where: short stacking energy: -24.363 Base-Backbone interact. energy: -0.001 local terms energy: -32.744481 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -3.473 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: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -54.884332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.884332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.884332 (E_RNA) where: Base-Base interactions energy: -20.350 where: short stacking energy: -20.350 Base-Backbone interact. energy: -0.003 local terms energy: -34.531563 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -5.367 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: 13 Temperature: 1.050000 Total energy: -62.127805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.127805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.127805 (E_RNA) where: Base-Base interactions energy: -28.865 where: short stacking energy: -16.762 Base-Backbone interact. energy: -0.000 local terms energy: -33.263077 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -5.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -52.017306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.017306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.017306 (E_RNA) where: Base-Base interactions energy: -20.013 where: short stacking energy: -16.624 Base-Backbone interact. energy: -0.610 local terms energy: -31.393612 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -48.100914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.100914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.100914 (E_RNA) where: Base-Base interactions energy: -19.841 where: short stacking energy: -19.841 Base-Backbone interact. energy: -0.001 local terms energy: -28.258062 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -2.804 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: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -43.493686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.493686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.493686 (E_RNA) where: Base-Base interactions energy: -16.220 where: short stacking energy: -15.738 Base-Backbone interact. energy: 0.162 local terms energy: -27.435388 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -46.258061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.258061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.258061 (E_RNA) where: Base-Base interactions energy: -18.304 where: short stacking energy: -9.282 Base-Backbone interact. energy: -0.049 local terms energy: -27.904803 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: 0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -47.769740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.769740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.769740 (E_RNA) where: Base-Base interactions energy: -19.060 where: short stacking energy: -19.060 Base-Backbone interact. energy: -0.098 local terms energy: -28.611600 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -5.879 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -44.251992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.251992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.251992 (E_RNA) where: Base-Base interactions energy: -15.173 where: short stacking energy: -15.173 Base-Backbone interact. energy: -0.005 local terms energy: -29.073708 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -63.302521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.302521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.302521 (E_RNA) where: Base-Base interactions energy: -27.192 where: short stacking energy: -27.192 Base-Backbone interact. energy: -0.000 local terms energy: -36.110489 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -6.048 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: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -66.572729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.572729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.572729 (E_RNA) where: Base-Base interactions energy: -30.734 where: short stacking energy: -30.734 Base-Backbone interact. energy: -0.000 local terms energy: -35.839051 where: bonds (distance) C4'-P energy: -5.540 bonds (distance) P-C4' energy: -8.084 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -9.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -69.305889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.305889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.305889 (E_RNA) where: Base-Base interactions energy: -33.495 where: short stacking energy: -26.801 Base-Backbone interact. energy: -0.004 local terms energy: -35.806524 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -4.063 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: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -55.585821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.585821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.585821 (E_RNA) where: Base-Base interactions energy: -25.922 where: short stacking energy: -25.922 Base-Backbone interact. energy: -0.035 local terms energy: -29.629000 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -4.896 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: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -46.090865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.090865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.090865 (E_RNA) where: Base-Base interactions energy: -21.462 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.101 local terms energy: -24.527375 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -5.640 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -2.837 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: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -51.769488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.769488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.769488 (E_RNA) where: Base-Base interactions energy: -22.623 where: short stacking energy: -13.877 Base-Backbone interact. energy: -0.017 local terms energy: -29.128818 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -41.859607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.859607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.859607 (E_RNA) where: Base-Base interactions energy: -11.890 where: short stacking energy: -11.280 Base-Backbone interact. energy: -0.245 local terms energy: -29.724963 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: 1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -47.121774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.121774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.121774 (E_RNA) where: Base-Base interactions energy: -20.574 where: short stacking energy: -20.574 Base-Backbone interact. energy: -0.000 local terms energy: -26.547942 where: bonds (distance) C4'-P energy: -4.718 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -8.942 flat angles P-C4'-P energy: -0.900 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: 9, replica: 7 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -46.077513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.077513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.077513 (E_RNA) where: Base-Base interactions energy: -19.157 where: short stacking energy: -19.157 Base-Backbone interact. energy: -0.000 local terms energy: -26.919941 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -6.972 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: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -42.199813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.199813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.199813 (E_RNA) where: Base-Base interactions energy: -17.034 where: short stacking energy: -17.034 Base-Backbone interact. energy: -0.004 local terms energy: -25.162564 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.338 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -70.213012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.213012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.213012 (E_RNA) where: Base-Base interactions energy: -27.418 where: short stacking energy: -27.418 Base-Backbone interact. energy: -0.000 local terms energy: -42.795199 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.917 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -9.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -63.327941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.327941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.327941 (E_RNA) where: Base-Base interactions energy: -27.355 where: short stacking energy: -27.355 Base-Backbone interact. energy: -0.000 local terms energy: -35.973200 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -8.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -66.595561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.595561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.595561 (E_RNA) where: Base-Base interactions energy: -30.151 where: short stacking energy: -30.151 Base-Backbone interact. energy: -0.001 local terms energy: -36.443977 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -53.634670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.634670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.634670 (E_RNA) where: Base-Base interactions energy: -21.343 where: short stacking energy: -21.343 Base-Backbone interact. energy: -0.004 local terms energy: -32.288303 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -5.235 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: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -49.612026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.612026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.612026 (E_RNA) where: Base-Base interactions energy: -18.441 where: short stacking energy: -14.235 Base-Backbone interact. energy: -0.000 local terms energy: -31.170738 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -6.056 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: 6, replica: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -48.916499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.916499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.916499 (E_RNA) where: Base-Base interactions energy: -18.931 where: short stacking energy: -18.931 Base-Backbone interact. energy: -0.082 local terms energy: -29.902895 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -4.706 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: 7, replica: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -42.156053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.156053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.156053 (E_RNA) where: Base-Base interactions energy: -14.296 where: short stacking energy: -14.296 Base-Backbone interact. energy: -0.021 local terms energy: -27.839274 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -4.535 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: 8, replica: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -44.927961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.927961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.927961 (E_RNA) where: Base-Base interactions energy: -16.707 where: short stacking energy: -16.707 Base-Backbone interact. energy: -0.002 local terms energy: -28.218815 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -4.253 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: 15 Temperature: 1.300000 Total energy: -44.482675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.482675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.482675 (E_RNA) where: Base-Base interactions energy: -14.919 where: short stacking energy: -14.919 Base-Backbone interact. energy: 0.632 local terms energy: -30.195415 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -40.778358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.778358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.778358 (E_RNA) where: Base-Base interactions energy: -21.521 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.512 local terms energy: -18.745495 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: 2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -64.301513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.301513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.301513 (E_RNA) where: Base-Base interactions energy: -26.113 where: short stacking energy: -25.964 Base-Backbone interact. energy: -0.024 local terms energy: -38.164634 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -8.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -73.834575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.834575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.834575 (E_RNA) where: Base-Base interactions energy: -32.374 where: short stacking energy: -32.374 Base-Backbone interact. energy: -0.000 local terms energy: -41.460163 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -5.884 tors. eta vs tors. theta energy: -9.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -63.980185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.980185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.980185 (E_RNA) where: Base-Base interactions energy: -28.266 where: short stacking energy: -28.266 Base-Backbone interact. energy: -0.000 local terms energy: -35.713672 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -9.681 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: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -54.771100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.771100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.771100 (E_RNA) where: Base-Base interactions energy: -21.427 where: short stacking energy: -21.427 Base-Backbone interact. energy: -0.010 local terms energy: -33.334780 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -48.649682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.649682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.649682 (E_RNA) where: Base-Base interactions energy: -16.288 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.009 local terms energy: -32.352720 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -5.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -48.571151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.571151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.571151 (E_RNA) where: Base-Base interactions energy: -14.935 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.021 local terms energy: -33.615215 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -40.745947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.745947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.745947 (E_RNA) where: Base-Base interactions energy: -11.993 where: short stacking energy: -11.993 Base-Backbone interact. energy: -0.017 local terms energy: -28.736346 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -44.153236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.153236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.153236 (E_RNA) where: Base-Base interactions energy: -17.615 where: short stacking energy: -17.615 Base-Backbone interact. energy: -0.002 local terms energy: -26.536243 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -43.061236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.061236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.061236 (E_RNA) where: Base-Base interactions energy: -17.724 where: short stacking energy: -14.889 Base-Backbone interact. energy: -0.014 local terms energy: -25.323966 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -4.312 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -39.847385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.847385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.847385 (E_RNA) where: Base-Base interactions energy: -12.422 where: short stacking energy: -12.422 Base-Backbone interact. energy: -0.004 local terms energy: -27.421347 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -1.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -67.872984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.872984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.872984 (E_RNA) where: Base-Base interactions energy: -28.158 where: short stacking energy: -28.158 Base-Backbone interact. energy: -0.001 local terms energy: -39.714315 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -7.051 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: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -67.551390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.551390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.551390 (E_RNA) where: Base-Base interactions energy: -28.477 where: short stacking energy: -28.477 Base-Backbone interact. energy: -0.001 local terms energy: -39.073548 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -4.675 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: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -57.052036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.052036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.052036 (E_RNA) where: Base-Base interactions energy: -24.149 where: short stacking energy: -24.149 Base-Backbone interact. energy: -0.086 local terms energy: -32.817796 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.317 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -4.678 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: 4, replica: 10 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -52.443283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.443283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.443283 (E_RNA) where: Base-Base interactions energy: -19.809 where: short stacking energy: -19.809 Base-Backbone interact. energy: -0.092 local terms energy: -32.542426 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -60.334487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.334487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.334487 (E_RNA) where: Base-Base interactions energy: -29.900 where: short stacking energy: -26.126 Base-Backbone interact. energy: -0.002 local terms energy: -30.432368 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -5.788 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: 6, replica: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -49.112614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.112614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.112614 (E_RNA) where: Base-Base interactions energy: -19.342 where: short stacking energy: -19.342 Base-Backbone interact. energy: -0.048 local terms energy: -29.723149 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -60.943638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.943638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.943638 (E_RNA) where: Base-Base interactions energy: -31.655 where: short stacking energy: -18.039 Base-Backbone interact. energy: -0.091 local terms energy: -29.197645 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -3.824 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -43.436222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.436222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.436222 (E_RNA) where: Base-Base interactions energy: -12.392 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.027 local terms energy: -31.017250 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -48.745775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.745775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.745775 (E_RNA) where: Base-Base interactions energy: -17.840 where: short stacking energy: -17.840 Base-Backbone interact. energy: -0.081 local terms energy: -30.825371 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -4.993 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: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -39.209972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.209972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.209972 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -12.834 Base-Backbone interact. energy: -0.089 local terms energy: -26.287742 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -2.053 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: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -66.467895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.467895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.467895 (E_RNA) where: Base-Base interactions energy: -27.154 where: short stacking energy: -27.154 Base-Backbone interact. energy: -0.000 local terms energy: -39.313718 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -10.194 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: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -60.741445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.741445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.741445 (E_RNA) where: Base-Base interactions energy: -26.363 where: short stacking energy: -26.363 Base-Backbone interact. energy: -0.000 local terms energy: -34.377955 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -4.409 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: 3, replica: 10 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -69.709431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.709431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.709431 (E_RNA) where: Base-Base interactions energy: -27.453 where: short stacking energy: -27.453 Base-Backbone interact. energy: -0.000 local terms energy: -42.256229 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -9.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -67.150186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.150186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.150186 (E_RNA) where: Base-Base interactions energy: -34.037 where: short stacking energy: -12.876 Base-Backbone interact. energy: -0.107 local terms energy: -33.006487 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -44.492901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.492901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.492901 (E_RNA) where: Base-Base interactions energy: -15.822 where: short stacking energy: -12.382 Base-Backbone interact. energy: 0.775 local terms energy: -29.446556 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -51.863495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.863495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.863495 (E_RNA) where: Base-Base interactions energy: -25.829 where: short stacking energy: -21.899 Base-Backbone interact. energy: 1.368 local terms energy: -27.402871 where: bonds (distance) C4'-P energy: -3.614 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -55.053297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.053297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.053297 (E_RNA) where: Base-Base interactions energy: -23.572 where: short stacking energy: -23.572 Base-Backbone interact. energy: -0.053 local terms energy: -31.428831 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -6.930 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: 8, replica: 3 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -41.383170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.383170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.383170 (E_RNA) where: Base-Base interactions energy: -12.534 where: short stacking energy: -9.505 Base-Backbone interact. energy: -0.041 local terms energy: -28.807484 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -8.538 flat angles P-C4'-P energy: -3.888 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: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -43.680370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.680370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.680370 (E_RNA) where: Base-Base interactions energy: -14.421 where: short stacking energy: -14.421 Base-Backbone interact. energy: -0.073 local terms energy: -29.186757 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -9.015 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: 1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -42.489054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.489054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.489054 (E_RNA) where: Base-Base interactions energy: -15.215 where: short stacking energy: -15.215 Base-Backbone interact. energy: -0.006 local terms energy: -27.268447 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -4.538 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: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -74.352342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.352342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.352342 (E_RNA) where: Base-Base interactions energy: -36.441 where: short stacking energy: -31.030 Base-Backbone interact. energy: -0.039 local terms energy: -37.872313 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -3.627 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: 2, replica: 10 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -56.055126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.055126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.055126 (E_RNA) where: Base-Base interactions energy: -24.584 where: short stacking energy: -24.144 Base-Backbone interact. energy: -0.000 local terms energy: -31.471090 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -6.024 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: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -60.562024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.562024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.562024 (E_RNA) where: Base-Base interactions energy: -28.172 where: short stacking energy: -20.614 Base-Backbone interact. energy: -0.000 local terms energy: -32.389884 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -6.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -52.611956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.611956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.611956 (E_RNA) where: Base-Base interactions energy: -21.888 where: short stacking energy: -21.888 Base-Backbone interact. energy: -0.000 local terms energy: -30.723293 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -5.654 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: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -58.404441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.404441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.404441 (E_RNA) where: Base-Base interactions energy: -27.586 where: short stacking energy: -27.586 Base-Backbone interact. energy: -0.000 local terms energy: -30.818192 where: bonds (distance) C4'-P energy: -4.194 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -49.914850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.914850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.914850 (E_RNA) where: Base-Base interactions energy: -22.174 where: short stacking energy: -22.174 Base-Backbone interact. energy: -0.001 local terms energy: -27.739511 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -6.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -47.955953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.955953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.955953 (E_RNA) where: Base-Base interactions energy: -18.868 where: short stacking energy: -17.902 Base-Backbone interact. energy: -0.003 local terms energy: -29.084798 where: bonds (distance) C4'-P energy: -5.428 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -43.982870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.982870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.982870 (E_RNA) where: Base-Base interactions energy: -15.904 where: short stacking energy: -15.904 Base-Backbone interact. energy: -0.001 local terms energy: -28.077498 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -40.696225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.696225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.696225 (E_RNA) where: Base-Base interactions energy: -14.237 where: short stacking energy: -14.109 Base-Backbone interact. energy: -0.045 local terms energy: -26.414343 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -3.036 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: 10, replica: 5 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -43.214511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.214511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.214511 (E_RNA) where: Base-Base interactions energy: -14.939 where: short stacking energy: -14.939 Base-Backbone interact. energy: -0.003 local terms energy: -28.273208 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -62.575388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.575388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.575388 (E_RNA) where: Base-Base interactions energy: -25.787 where: short stacking energy: -25.787 Base-Backbone interact. energy: -0.000 local terms energy: -36.788832 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -8.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -68.200873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.200873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.200873 (E_RNA) where: Base-Base interactions energy: -31.148 where: short stacking energy: -23.299 Base-Backbone interact. energy: -0.017 local terms energy: -37.035708 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -9.237 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: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -60.105104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.105104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.105104 (E_RNA) where: Base-Base interactions energy: -24.190 where: short stacking energy: -24.190 Base-Backbone interact. energy: 0.368 local terms energy: -36.282909 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -8.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -54.679611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.679611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.679611 (E_RNA) where: Base-Base interactions energy: -23.206 where: short stacking energy: -23.206 Base-Backbone interact. energy: -0.188 local terms energy: -31.285106 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -52.520682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.520682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.520682 (E_RNA) where: Base-Base interactions energy: -23.648 where: short stacking energy: -23.459 Base-Backbone interact. energy: -0.017 local terms energy: -28.855430 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -6.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -56.136325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.136325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.136325 (E_RNA) where: Base-Base interactions energy: -23.102 where: short stacking energy: -23.102 Base-Backbone interact. energy: -0.376 local terms energy: -32.658318 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -44.365474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.365474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.365474 (E_RNA) where: Base-Base interactions energy: -14.088 where: short stacking energy: -9.865 Base-Backbone interact. energy: -0.032 local terms energy: -30.245311 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -6.677 tors. eta vs tors. theta energy: -0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -44.190305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.190305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.190305 (E_RNA) where: Base-Base interactions energy: -15.304 where: short stacking energy: -15.304 Base-Backbone interact. energy: 0.055 local terms energy: -28.941961 where: bonds (distance) C4'-P energy: -4.979 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -3.926 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: 9, replica: 5 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -40.520333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.520333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.520333 (E_RNA) where: Base-Base interactions energy: -13.383 where: short stacking energy: -13.322 Base-Backbone interact. energy: 0.169 local terms energy: -27.306603 where: bonds (distance) C4'-P energy: -3.017 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -58.001139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.001139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.001139 (E_RNA) where: Base-Base interactions energy: -27.580 where: short stacking energy: -17.582 Base-Backbone interact. energy: -0.006 local terms energy: -30.415534 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -66.413817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.413817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.413817 (E_RNA) where: Base-Base interactions energy: -29.564 where: short stacking energy: -29.564 Base-Backbone interact. energy: -0.000 local terms energy: -36.850175 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.892 flat angles P-C4'-P energy: -2.503 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: 1 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -82.808191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.808191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.808191 (E_RNA) where: Base-Base interactions energy: -52.999 where: short stacking energy: -25.842 Base-Backbone interact. energy: -0.043 local terms energy: -29.766215 where: bonds (distance) C4'-P energy: -7.318 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -4.526 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -68.804314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.804314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.804314 (E_RNA) where: Base-Base interactions energy: -32.183 where: short stacking energy: -32.183 Base-Backbone interact. energy: -0.000 local terms energy: -36.620810 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -6.650 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: 4, replica: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -50.688268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.688268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.688268 (E_RNA) where: Base-Base interactions energy: -20.819 where: short stacking energy: -15.694 Base-Backbone interact. energy: -0.011 local terms energy: -29.858185 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -9.210 flat angles P-C4'-P energy: -2.207 tors. eta vs tors. theta energy: -3.656 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: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -48.101543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.101543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.101543 (E_RNA) where: Base-Base interactions energy: -15.886 where: short stacking energy: -15.886 Base-Backbone interact. energy: -0.119 local terms energy: -32.096693 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -56.577566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.577566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.577566 (E_RNA) where: Base-Base interactions energy: -24.166 where: short stacking energy: -24.166 Base-Backbone interact. energy: -0.000 local terms energy: -32.411672 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -4.393 flat angles C4'-P-C4' energy: -8.556 flat angles P-C4'-P energy: -5.188 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: 7, replica: 2 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -45.894144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.894144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.894144 (E_RNA) where: Base-Base interactions energy: -19.563 where: short stacking energy: -19.563 Base-Backbone interact. energy: -0.044 local terms energy: -26.286807 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -3.716 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: 8, replica: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -45.770944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.770944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.770944 (E_RNA) where: Base-Base interactions energy: -12.473 where: short stacking energy: -12.473 Base-Backbone interact. energy: -0.076 local terms energy: -33.222312 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -44.820595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.820595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.820595 (E_RNA) where: Base-Base interactions energy: -13.880 where: short stacking energy: -13.880 Base-Backbone interact. energy: -0.018 local terms energy: -30.922911 where: bonds (distance) C4'-P energy: -7.530 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -48.101295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.101295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.101295 (E_RNA) where: Base-Base interactions energy: -15.669 where: short stacking energy: -15.669 Base-Backbone interact. energy: -0.004 local terms energy: -32.428203 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -81.846918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.846918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.846918 (E_RNA) where: Base-Base interactions energy: -41.655 where: short stacking energy: -28.137 Base-Backbone interact. energy: -0.000 local terms energy: -40.191461 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -8.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -57.829473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.829473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.829473 (E_RNA) where: Base-Base interactions energy: -29.231 where: short stacking energy: -16.389 Base-Backbone interact. energy: -0.023 local terms energy: -28.575193 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -0.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -62.796205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.796205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.796205 (E_RNA) where: Base-Base interactions energy: -31.644 where: short stacking energy: -22.975 Base-Backbone interact. energy: -0.001 local terms energy: -31.151451 where: bonds (distance) C4'-P energy: -7.310 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -6.104 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -56.543769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.543769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.543769 (E_RNA) where: Base-Base interactions energy: -23.106 where: short stacking energy: -23.106 Base-Backbone interact. energy: -0.028 local terms energy: -33.409627 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -6.270 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: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -51.686613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.686613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.686613 (E_RNA) where: Base-Base interactions energy: -20.349 where: short stacking energy: -20.349 Base-Backbone interact. energy: -0.093 local terms energy: -31.244423 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.639 flat angles P-C4'-P energy: -1.933 tors. eta vs tors. theta energy: -5.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -56.524298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.524298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.524298 (E_RNA) where: Base-Base interactions energy: -22.962 where: short stacking energy: -22.962 Base-Backbone interact. energy: -0.000 local terms energy: -33.561868 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -53.336346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.336346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.336346 (E_RNA) where: Base-Base interactions energy: -21.472 where: short stacking energy: -18.833 Base-Backbone interact. energy: -0.043 local terms energy: -31.822019 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -47.044705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.044705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.044705 (E_RNA) where: Base-Base interactions energy: -17.434 where: short stacking energy: -16.998 Base-Backbone interact. energy: -0.108 local terms energy: -29.502789 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: 0.811 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: 9, replica: 3 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -37.295092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.295092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.295092 (E_RNA) where: Base-Base interactions energy: -9.208 where: short stacking energy: -6.476 Base-Backbone interact. energy: -0.139 local terms energy: -27.948454 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -0.213 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: 10, replica: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -42.689925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.689925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.689925 (E_RNA) where: Base-Base interactions energy: -12.609 where: short stacking energy: -12.609 Base-Backbone interact. energy: -0.209 local terms energy: -29.872106 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -79.002557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.002557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.002557 (E_RNA) where: Base-Base interactions energy: -44.951 where: short stacking energy: -22.842 Base-Backbone interact. energy: -0.011 local terms energy: -34.040490 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -58.760120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.760120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.760120 (E_RNA) where: Base-Base interactions energy: -27.332 where: short stacking energy: -23.677 Base-Backbone interact. energy: -0.003 local terms energy: -31.424575 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -1.928 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -68.072605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.072605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.072605 (E_RNA) where: Base-Base interactions energy: -29.565 where: short stacking energy: -29.565 Base-Backbone interact. energy: -0.000 local terms energy: -38.507565 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -11.572 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: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -52.814771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.814771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.814771 (E_RNA) where: Base-Base interactions energy: -21.972 where: short stacking energy: -21.972 Base-Backbone interact. energy: -0.058 local terms energy: -30.784982 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -59.328288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.328288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.328288 (E_RNA) where: Base-Base interactions energy: -26.368 where: short stacking energy: -26.368 Base-Backbone interact. energy: -0.000 local terms energy: -32.960097 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -6.438 tors. eta vs tors. theta energy: -7.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -49.984862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.984862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.984862 (E_RNA) where: Base-Base interactions energy: -22.751 where: short stacking energy: -22.751 Base-Backbone interact. energy: -0.013 local terms energy: -27.221161 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -45.038154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.038154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.038154 (E_RNA) where: Base-Base interactions energy: -17.499 where: short stacking energy: -17.599 Base-Backbone interact. energy: -0.249 local terms energy: -27.290368 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -5.424 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: 8, replica: 3 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -46.356256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.356256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.356256 (E_RNA) where: Base-Base interactions energy: -15.049 where: short stacking energy: -15.049 Base-Backbone interact. energy: -0.011 local terms energy: -31.296261 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -48.420996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.420996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.420996 (E_RNA) where: Base-Base interactions energy: -18.187 where: short stacking energy: -18.187 Base-Backbone interact. energy: -0.001 local terms energy: -30.232621 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -6.062 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: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -50.059201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.059201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.059201 (E_RNA) where: Base-Base interactions energy: -20.440 where: short stacking energy: -20.440 Base-Backbone interact. energy: -0.001 local terms energy: -29.618797 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -2.957 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: 1, replica: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -83.131177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.131177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.131177 (E_RNA) where: Base-Base interactions energy: -48.596 where: short stacking energy: -30.216 Base-Backbone interact. energy: -0.002 local terms energy: -34.533758 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -59.994917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.994917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.994917 (E_RNA) where: Base-Base interactions energy: -26.511 where: short stacking energy: -26.511 Base-Backbone interact. energy: -0.309 local terms energy: -33.174349 where: bonds (distance) C4'-P energy: -4.362 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -60.095085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.095085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.095085 (E_RNA) where: Base-Base interactions energy: -26.651 where: short stacking energy: -26.651 Base-Backbone interact. energy: -0.000 local terms energy: -33.443508 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -6.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -58.428848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.428848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.428848 (E_RNA) where: Base-Base interactions energy: -25.819 where: short stacking energy: -20.799 Base-Backbone interact. energy: -0.860 local terms energy: -31.749655 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -54.573053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.573053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.573053 (E_RNA) where: Base-Base interactions energy: -22.186 where: short stacking energy: -22.186 Base-Backbone interact. energy: -0.141 local terms energy: -32.246615 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -52.772253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.772253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.772253 (E_RNA) where: Base-Base interactions energy: -22.616 where: short stacking energy: -22.616 Base-Backbone interact. energy: -0.028 local terms energy: -30.128141 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -4.826 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: 7, replica: 3 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -50.383441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.383441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.383441 (E_RNA) where: Base-Base interactions energy: -18.141 where: short stacking energy: -18.141 Base-Backbone interact. energy: -0.066 local terms energy: -32.175561 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -48.554868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.554868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.554868 (E_RNA) where: Base-Base interactions energy: -20.606 where: short stacking energy: -20.606 Base-Backbone interact. energy: -0.072 local terms energy: -27.876042 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -5.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -46.318969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.318969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.318969 (E_RNA) where: Base-Base interactions energy: -17.091 where: short stacking energy: -15.020 Base-Backbone interact. energy: -0.001 local terms energy: -29.227521 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -45.877701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.877701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.877701 (E_RNA) where: Base-Base interactions energy: -16.292 where: short stacking energy: -16.292 Base-Backbone interact. energy: -0.085 local terms energy: -29.501298 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -3.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -71.543511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.543511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.543511 (E_RNA) where: Base-Base interactions energy: -35.573 where: short stacking energy: -20.694 Base-Backbone interact. energy: -0.851 local terms energy: -35.120186 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -9.077 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -61.812077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.812077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.812077 (E_RNA) where: Base-Base interactions energy: -24.544 where: short stacking energy: -24.544 Base-Backbone interact. energy: -0.000 local terms energy: -37.268345 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -6.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -66.056972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.056972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.056972 (E_RNA) where: Base-Base interactions energy: -28.286 where: short stacking energy: -28.286 Base-Backbone interact. energy: -0.000 local terms energy: -37.770967 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -7.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -53.932060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.932060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.932060 (E_RNA) where: Base-Base interactions energy: -23.035 where: short stacking energy: -23.035 Base-Backbone interact. energy: -0.042 local terms energy: -30.854796 where: bonds (distance) C4'-P energy: -5.952 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -53.789184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.789184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.789184 (E_RNA) where: Base-Base interactions energy: -21.433 where: short stacking energy: -17.862 Base-Backbone interact. energy: -0.003 local terms energy: -32.353218 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -4.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -57.069137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.069137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.069137 (E_RNA) where: Base-Base interactions energy: -27.560 where: short stacking energy: -21.792 Base-Backbone interact. energy: -0.005 local terms energy: -29.504157 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -47.327457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.327457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.327457 (E_RNA) where: Base-Base interactions energy: -19.591 where: short stacking energy: -19.326 Base-Backbone interact. energy: -0.002 local terms energy: -27.734432 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -2.918 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: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -53.198527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.198527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.198527 (E_RNA) where: Base-Base interactions energy: -20.734 where: short stacking energy: -18.491 Base-Backbone interact. energy: -0.125 local terms energy: -32.339896 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -4.896 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: 9, replica: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -55.928636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.928636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.928636 (E_RNA) where: Base-Base interactions energy: -26.992 where: short stacking energy: -19.461 Base-Backbone interact. energy: -0.047 local terms energy: -28.890046 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.320 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: 10, replica: 2 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -41.310090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.310090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.310090 (E_RNA) where: Base-Base interactions energy: -13.419 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.269 local terms energy: -27.622237 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -5.797 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: 1, replica: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -71.948885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.948885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.948885 (E_RNA) where: Base-Base interactions energy: -46.278 where: short stacking energy: -27.347 Base-Backbone interact. energy: -0.100 local terms energy: -25.571463 where: bonds (distance) C4'-P energy: -5.969 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.351 flat angles P-C4'-P energy: -1.937 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -63.090997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.090997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.090997 (E_RNA) where: Base-Base interactions energy: -28.940 where: short stacking energy: -24.615 Base-Backbone interact. energy: -0.026 local terms energy: -34.124706 where: bonds (distance) C4'-P energy: -7.812 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -5.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -62.718408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.718408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.718408 (E_RNA) where: Base-Base interactions energy: -24.830 where: short stacking energy: -24.830 Base-Backbone interact. energy: -0.023 local terms energy: -37.866089 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -6.261 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: 4, replica: 8 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -54.358083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.358083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.358083 (E_RNA) where: Base-Base interactions energy: -23.050 where: short stacking energy: -23.050 Base-Backbone interact. energy: -0.000 local terms energy: -31.307973 where: bonds (distance) C4'-P energy: -4.065 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -7.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -49.960840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.960840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.960840 (E_RNA) where: Base-Base interactions energy: -21.968 where: short stacking energy: -16.113 Base-Backbone interact. energy: 1.206 local terms energy: -29.198214 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -49.469332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.469332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.469332 (E_RNA) where: Base-Base interactions energy: -22.528 where: short stacking energy: -15.169 Base-Backbone interact. energy: -0.059 local terms energy: -26.882381 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -49.169333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.169333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.169333 (E_RNA) where: Base-Base interactions energy: -17.544 where: short stacking energy: -17.544 Base-Backbone interact. energy: -0.019 local terms energy: -31.606661 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -2.426 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: 8, replica: 5 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -44.383801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.383801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.383801 (E_RNA) where: Base-Base interactions energy: -15.959 where: short stacking energy: -8.135 Base-Backbone interact. energy: -0.509 local terms energy: -27.915616 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -48.201656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.201656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.201656 (E_RNA) where: Base-Base interactions energy: -21.373 where: short stacking energy: -14.518 Base-Backbone interact. energy: -0.038 local terms energy: -26.790847 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -1.189 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -47.658186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.658186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.658186 (E_RNA) where: Base-Base interactions energy: -28.791 where: short stacking energy: -13.483 Base-Backbone interact. energy: 2.727 local terms energy: -21.594790 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -4.006 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: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -67.964360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.964360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.964360 (E_RNA) where: Base-Base interactions energy: -36.502 where: short stacking energy: -29.396 Base-Backbone interact. energy: -0.006 local terms energy: -31.456545 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -1.760 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -67.602527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.602527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.602527 (E_RNA) where: Base-Base interactions energy: -32.092 where: short stacking energy: -32.092 Base-Backbone interact. energy: -0.000 local terms energy: -35.510684 where: bonds (distance) C4'-P energy: -5.208 bonds (distance) P-C4' energy: -7.790 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -10.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -56.696940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.696940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.696940 (E_RNA) where: Base-Base interactions energy: -23.047 where: short stacking energy: -23.047 Base-Backbone interact. energy: -0.000 local terms energy: -33.650191 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -6.251 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -57.808032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.808032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.808032 (E_RNA) where: Base-Base interactions energy: -25.169 where: short stacking energy: -25.169 Base-Backbone interact. energy: -0.006 local terms energy: -32.632521 where: bonds (distance) C4'-P energy: -4.310 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -8.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -48.592317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.592317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.592317 (E_RNA) where: Base-Base interactions energy: -14.854 where: short stacking energy: -14.854 Base-Backbone interact. energy: -0.092 local terms energy: -33.646150 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -6.234 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: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -53.384762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.384762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.384762 (E_RNA) where: Base-Base interactions energy: -20.629 where: short stacking energy: -20.629 Base-Backbone interact. energy: -0.007 local terms energy: -32.749535 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -42.419530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.419530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.419530 (E_RNA) where: Base-Base interactions energy: -14.586 where: short stacking energy: -11.363 Base-Backbone interact. energy: -0.150 local terms energy: -27.684304 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -5.496 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: 8, replica: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -45.101118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.101118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.101118 (E_RNA) where: Base-Base interactions energy: -16.926 where: short stacking energy: -15.487 Base-Backbone interact. energy: -0.571 local terms energy: -27.604164 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -47.654559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.654559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.654559 (E_RNA) where: Base-Base interactions energy: -20.691 where: short stacking energy: -12.672 Base-Backbone interact. energy: -0.004 local terms energy: -26.960117 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: 1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -39.718550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.718550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.718550 (E_RNA) where: Base-Base interactions energy: -14.231 where: short stacking energy: -8.380 Base-Backbone interact. energy: 0.393 local terms energy: -25.880575 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -64.128375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.128375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.128375 (E_RNA) where: Base-Base interactions energy: -29.664 where: short stacking energy: -29.210 Base-Backbone interact. energy: -0.000 local terms energy: -34.464299 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -6.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -57.894009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.894009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.894009 (E_RNA) where: Base-Base interactions energy: -22.144 where: short stacking energy: -22.144 Base-Backbone interact. energy: -0.064 local terms energy: -35.685869 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -65.280279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.280279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.280279 (E_RNA) where: Base-Base interactions energy: -32.536 where: short stacking energy: -19.843 Base-Backbone interact. energy: -0.046 local terms energy: -32.698110 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -6.495 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: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -59.414319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.414319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.414319 (E_RNA) where: Base-Base interactions energy: -23.077 where: short stacking energy: -22.498 Base-Backbone interact. energy: -0.000 local terms energy: -36.337403 where: bonds (distance) C4'-P energy: -7.211 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -6.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -47.950620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.950620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.950620 (E_RNA) where: Base-Base interactions energy: -16.186 where: short stacking energy: -14.822 Base-Backbone interact. energy: -0.001 local terms energy: -31.764175 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -49.161483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.161483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.161483 (E_RNA) where: Base-Base interactions energy: -16.122 where: short stacking energy: -16.122 Base-Backbone interact. energy: -0.790 local terms energy: -32.250189 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -6.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -41.299874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.299874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.299874 (E_RNA) where: Base-Base interactions energy: -18.197 where: short stacking energy: -17.368 Base-Backbone interact. energy: -0.015 local terms energy: -23.087432 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -7.401 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -0.619 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: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -45.211056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.211056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.211056 (E_RNA) where: Base-Base interactions energy: -17.313 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.071 local terms energy: -27.827414 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -4.285 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: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -41.855462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.855462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.855462 (E_RNA) where: Base-Base interactions energy: -15.455 where: short stacking energy: -15.455 Base-Backbone interact. energy: -0.057 local terms energy: -26.343461 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -48.771965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.771965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.771965 (E_RNA) where: Base-Base interactions energy: -20.595 where: short stacking energy: -20.595 Base-Backbone interact. energy: -0.000 local terms energy: -28.176538 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -4.417 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: 1, replica: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -62.155070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.155070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.155070 (E_RNA) where: Base-Base interactions energy: -23.861 where: short stacking energy: -23.861 Base-Backbone interact. energy: -0.000 local terms energy: -38.294506 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -71.256185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.256185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.256185 (E_RNA) where: Base-Base interactions energy: -33.024 where: short stacking energy: -29.380 Base-Backbone interact. energy: -0.000 local terms energy: -38.231851 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -8.099 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -5.554 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: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -64.251262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.251262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.251262 (E_RNA) where: Base-Base interactions energy: -28.691 where: short stacking energy: -28.691 Base-Backbone interact. energy: -0.000 local terms energy: -35.559937 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -6.403 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -8.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -66.119400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.119400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.119400 (E_RNA) where: Base-Base interactions energy: -30.565 where: short stacking energy: -26.502 Base-Backbone interact. energy: -0.000 local terms energy: -35.554471 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -7.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -56.523809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.523809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.523809 (E_RNA) where: Base-Base interactions energy: -28.275 where: short stacking energy: -28.275 Base-Backbone interact. energy: -0.000 local terms energy: -28.248954 where: bonds (distance) C4'-P energy: -2.190 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -7.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -55.141958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.141958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.141958 (E_RNA) where: Base-Base interactions energy: -22.715 where: short stacking energy: -20.776 Base-Backbone interact. energy: -0.864 local terms energy: -31.563169 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -5.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -59.596255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.596255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.596255 (E_RNA) where: Base-Base interactions energy: -28.843 where: short stacking energy: -22.484 Base-Backbone interact. energy: -0.000 local terms energy: -30.753680 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -8.863 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -5.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -40.776824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.776824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.776824 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -11.346 Base-Backbone interact. energy: -0.113 local terms energy: -26.764354 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -43.370751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.370751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.370751 (E_RNA) where: Base-Base interactions energy: -14.752 where: short stacking energy: -14.752 Base-Backbone interact. energy: -0.002 local terms energy: -28.616562 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -44.922027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.922027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.922027 (E_RNA) where: Base-Base interactions energy: -16.820 where: short stacking energy: -16.820 Base-Backbone interact. energy: -0.002 local terms energy: -28.100728 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -79.262554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.262554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.262554 (E_RNA) where: Base-Base interactions energy: -43.687 where: short stacking energy: -25.450 Base-Backbone interact. energy: -0.112 local terms energy: -35.462925 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -5.659 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: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -64.775210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.775210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.775210 (E_RNA) where: Base-Base interactions energy: -27.035 where: short stacking energy: -27.035 Base-Backbone interact. energy: -0.000 local terms energy: -37.739860 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -6.437 tors. eta vs tors. theta energy: -10.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -50.842957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.842957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.842957 (E_RNA) where: Base-Base interactions energy: -21.402 where: short stacking energy: -21.402 Base-Backbone interact. energy: -0.002 local terms energy: -29.439387 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -56.013204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.013204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.013204 (E_RNA) where: Base-Base interactions energy: -22.181 where: short stacking energy: -21.413 Base-Backbone interact. energy: -0.004 local terms energy: -33.828241 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -6.447 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: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -56.308180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.308180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.308180 (E_RNA) where: Base-Base interactions energy: -22.339 where: short stacking energy: -22.339 Base-Backbone interact. energy: -0.019 local terms energy: -33.950034 where: bonds (distance) C4'-P energy: -6.946 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -10.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -58.934657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.934657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.934657 (E_RNA) where: Base-Base interactions energy: -27.328 where: short stacking energy: -16.580 Base-Backbone interact. energy: -0.002 local terms energy: -31.605045 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -50.291498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.291498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.291498 (E_RNA) where: Base-Base interactions energy: -16.984 where: short stacking energy: -16.984 Base-Backbone interact. energy: -0.045 local terms energy: -33.262503 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -5.209 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: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -42.972225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.972225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.972225 (E_RNA) where: Base-Base interactions energy: -13.194 where: short stacking energy: -11.862 Base-Backbone interact. energy: -1.933 local terms energy: -27.845197 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -40.607407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.607407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.607407 (E_RNA) where: Base-Base interactions energy: -11.932 where: short stacking energy: -11.932 Base-Backbone interact. energy: -0.096 local terms energy: -28.579387 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -45.411819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.411819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.411819 (E_RNA) where: Base-Base interactions energy: -15.654 where: short stacking energy: -15.654 Base-Backbone interact. energy: -0.003 local terms energy: -29.754397 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -73.533375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.533375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.533375 (E_RNA) where: Base-Base interactions energy: -38.749 where: short stacking energy: -28.812 Base-Backbone interact. energy: -0.026 local terms energy: -34.758386 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.501 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -77.260403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.260403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.260403 (E_RNA) where: Base-Base interactions energy: -34.965 where: short stacking energy: -34.965 Base-Backbone interact. energy: -0.000 local terms energy: -42.295676 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -11.051 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: 31 Temperature: 1.000000 Total energy: -61.008917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.008917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.008917 (E_RNA) where: Base-Base interactions energy: -25.185 where: short stacking energy: -25.185 Base-Backbone interact. energy: -0.002 local terms energy: -35.822485 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -7.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -61.184786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.184786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.184786 (E_RNA) where: Base-Base interactions energy: -26.789 where: short stacking energy: -26.789 Base-Backbone interact. energy: -0.006 local terms energy: -34.389249 where: bonds (distance) C4'-P energy: -4.774 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -7.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -53.855915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.855915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.855915 (E_RNA) where: Base-Base interactions energy: -22.925 where: short stacking energy: -22.925 Base-Backbone interact. energy: -0.000 local terms energy: -30.930785 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -3.413 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: 6, replica: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -47.759660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.759660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.759660 (E_RNA) where: Base-Base interactions energy: -17.497 where: short stacking energy: -17.497 Base-Backbone interact. energy: -0.060 local terms energy: -30.202683 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -44.689181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.689181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.689181 (E_RNA) where: Base-Base interactions energy: -12.925 where: short stacking energy: -12.925 Base-Backbone interact. energy: -0.028 local terms energy: -31.736577 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -4.177 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: 5 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -50.607773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.607773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.607773 (E_RNA) where: Base-Base interactions energy: -23.834 where: short stacking energy: -23.834 Base-Backbone interact. energy: 0.211 local terms energy: -26.984746 where: bonds (distance) C4'-P energy: -4.997 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -42.517435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.517435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.517435 (E_RNA) where: Base-Base interactions energy: -15.542 where: short stacking energy: -15.542 Base-Backbone interact. energy: -0.001 local terms energy: -26.974025 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: 0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -41.721894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.721894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.721894 (E_RNA) where: Base-Base interactions energy: -12.320 where: short stacking energy: -12.320 Base-Backbone interact. energy: -0.021 local terms energy: -29.381191 where: bonds (distance) C4'-P energy: -6.121 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -2.593 tors. eta vs tors. theta energy: -3.802 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: 32 Temperature: 0.900000 Total energy: -67.070600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.070600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.070600 (E_RNA) where: Base-Base interactions energy: -29.648 where: short stacking energy: -29.648 Base-Backbone interact. energy: -0.000 local terms energy: -37.422650 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -9.484 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -10.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -57.423588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.423588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.423588 (E_RNA) where: Base-Base interactions energy: -23.128 where: short stacking energy: -19.817 Base-Backbone interact. energy: -0.047 local terms energy: -34.248921 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -7.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -58.001185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.001185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.001185 (E_RNA) where: Base-Base interactions energy: -22.929 where: short stacking energy: -22.929 Base-Backbone interact. energy: -0.027 local terms energy: -35.045223 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -4.073 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: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -54.243021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.243021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.243021 (E_RNA) where: Base-Base interactions energy: -23.053 where: short stacking energy: -23.053 Base-Backbone interact. energy: -0.038 local terms energy: -31.152332 where: bonds (distance) C4'-P energy: -6.909 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -6.647 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: 5, replica: 9 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -49.429935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.429935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.429935 (E_RNA) where: Base-Base interactions energy: -15.097 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.031 local terms energy: -34.301896 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -4.934 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: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -49.283494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.283494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.283494 (E_RNA) where: Base-Base interactions energy: -17.665 where: short stacking energy: -17.665 Base-Backbone interact. energy: -0.000 local terms energy: -31.617801 where: bonds (distance) C4'-P energy: -5.757 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -9.046 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -49.039402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.039402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.039402 (E_RNA) where: Base-Base interactions energy: -15.128 where: short stacking energy: -15.128 Base-Backbone interact. energy: -0.003 local terms energy: -33.907911 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -42.473774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.473774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.473774 (E_RNA) where: Base-Base interactions energy: -15.450 where: short stacking energy: -11.619 Base-Backbone interact. energy: -0.407 local terms energy: -26.616316 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -6.169 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -4.471 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: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -43.048550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.048550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.048550 (E_RNA) where: Base-Base interactions energy: -15.125 where: short stacking energy: -15.059 Base-Backbone interact. energy: -0.128 local terms energy: -27.795725 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -43.174007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.174007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.174007 (E_RNA) where: Base-Base interactions energy: -14.039 where: short stacking energy: -14.039 Base-Backbone interact. energy: -0.098 local terms energy: -29.036837 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -69.990200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.990200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.990200 (E_RNA) where: Base-Base interactions energy: -29.567 where: short stacking energy: -29.567 Base-Backbone interact. energy: -0.000 local terms energy: -40.423272 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -5.884 tors. eta vs tors. theta energy: -9.749 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: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -73.438510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.438510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.438510 (E_RNA) where: Base-Base interactions energy: -44.217 where: short stacking energy: -24.788 Base-Backbone interact. energy: -0.027 local terms energy: -29.195417 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -61.420318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.420318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.420318 (E_RNA) where: Base-Base interactions energy: -27.670 where: short stacking energy: -27.670 Base-Backbone interact. energy: -0.165 local terms energy: -33.585778 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -5.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -53.981972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.981972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.981972 (E_RNA) where: Base-Base interactions energy: -25.136 where: short stacking energy: -19.402 Base-Backbone interact. energy: -0.998 local terms energy: -27.847653 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -4.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -54.368557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.368557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.368557 (E_RNA) where: Base-Base interactions energy: -22.111 where: short stacking energy: -22.111 Base-Backbone interact. energy: -0.000 local terms energy: -32.257187 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -6.344 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: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -55.198283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.198283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.198283 (E_RNA) where: Base-Base interactions energy: -22.002 where: short stacking energy: -22.002 Base-Backbone interact. energy: -0.000 local terms energy: -33.196191 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -44.677436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.677436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.677436 (E_RNA) where: Base-Base interactions energy: -19.541 where: short stacking energy: -16.072 Base-Backbone interact. energy: -0.201 local terms energy: -24.935350 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -45.646006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.646006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.646006 (E_RNA) where: Base-Base interactions energy: -19.170 where: short stacking energy: -19.032 Base-Backbone interact. energy: -0.001 local terms energy: -26.474894 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -0.427 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: 9, replica: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -47.005561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.005561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.005561 (E_RNA) where: Base-Base interactions energy: -15.175 where: short stacking energy: -15.175 Base-Backbone interact. energy: -0.000 local terms energy: -31.830338 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: -4.719 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: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -39.893754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.893754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.893754 (E_RNA) where: Base-Base interactions energy: -13.733 where: short stacking energy: -13.733 Base-Backbone interact. energy: -0.106 local terms energy: -26.054260 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -0.757 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -65.058015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.058015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.058015 (E_RNA) where: Base-Base interactions energy: -28.074 where: short stacking energy: -28.074 Base-Backbone interact. energy: -0.000 local terms energy: -36.983584 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.561 flat angles P-C4'-P energy: -6.229 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: 2, replica: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -57.859480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.859480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.859480 (E_RNA) where: Base-Base interactions energy: -26.892 where: short stacking energy: -26.892 Base-Backbone interact. energy: -0.004 local terms energy: -30.962764 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -57.995593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.995593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.995593 (E_RNA) where: Base-Base interactions energy: -24.434 where: short stacking energy: -24.266 Base-Backbone interact. energy: -0.004 local terms energy: -33.557365 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -7.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -61.592520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.592520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.592520 (E_RNA) where: Base-Base interactions energy: -27.855 where: short stacking energy: -27.855 Base-Backbone interact. energy: -0.000 local terms energy: -33.737563 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -6.740 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -7.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -52.423834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.423834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.423834 (E_RNA) where: Base-Base interactions energy: -22.557 where: short stacking energy: -19.387 Base-Backbone interact. energy: -0.000 local terms energy: -29.866436 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.605 flat angles P-C4'-P energy: -1.706 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: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -49.625228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.625228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.625228 (E_RNA) where: Base-Base interactions energy: -25.772 where: short stacking energy: -16.342 Base-Backbone interact. energy: -0.025 local terms energy: -23.827957 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -45.160911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.160911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.160911 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.014 local terms energy: -34.167350 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -3.172 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: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -50.181433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.181433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.181433 (E_RNA) where: Base-Base interactions energy: -15.603 where: short stacking energy: -15.603 Base-Backbone interact. energy: -0.003 local terms energy: -34.575639 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -5.480 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: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -39.438725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.438725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.438725 (E_RNA) where: Base-Base interactions energy: -14.950 where: short stacking energy: -10.334 Base-Backbone interact. energy: -0.287 local terms energy: -24.202224 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: 0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -41.622273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.622273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.622273 (E_RNA) where: Base-Base interactions energy: -15.474 where: short stacking energy: -15.474 Base-Backbone interact. energy: -0.023 local terms energy: -26.125312 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -69.784963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.784963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.784963 (E_RNA) where: Base-Base interactions energy: -35.330 where: short stacking energy: -32.676 Base-Backbone interact. energy: -0.001 local terms energy: -34.454018 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.550 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -6.478 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: 2, replica: 9 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -62.151917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.151917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.151917 (E_RNA) where: Base-Base interactions energy: -28.772 where: short stacking energy: -22.916 Base-Backbone interact. energy: -0.000 local terms energy: -33.379821 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -7.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -60.543154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.543154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.543154 (E_RNA) where: Base-Base interactions energy: -26.427 where: short stacking energy: -26.427 Base-Backbone interact. energy: -0.002 local terms energy: -34.114499 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -5.690 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: 4, replica: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -54.573454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.573454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.573454 (E_RNA) where: Base-Base interactions energy: -20.227 where: short stacking energy: -20.227 Base-Backbone interact. energy: -0.017 local terms energy: -34.329763 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -6.475 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: 5, replica: 10 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -55.973582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.973582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.973582 (E_RNA) where: Base-Base interactions energy: -23.658 where: short stacking energy: -17.546 Base-Backbone interact. energy: -0.002 local terms energy: -32.312870 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -5.444 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: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -45.288266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.288266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.288266 (E_RNA) where: Base-Base interactions energy: -18.149 where: short stacking energy: -18.149 Base-Backbone interact. energy: -0.001 local terms energy: -27.138642 where: bonds (distance) C4'-P energy: -7.484 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -3.399 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: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -44.612751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.612751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.612751 (E_RNA) where: Base-Base interactions energy: -21.982 where: short stacking energy: -21.982 Base-Backbone interact. energy: -0.001 local terms energy: -22.629179 where: bonds (distance) C4'-P energy: -2.972 bonds (distance) P-C4' energy: -5.149 flat angles C4'-P-C4' energy: -8.534 flat angles P-C4'-P energy: -0.033 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: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -44.055921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.055921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.055921 (E_RNA) where: Base-Base interactions energy: -18.741 where: short stacking energy: -18.741 Base-Backbone interact. energy: -0.011 local terms energy: -25.304562 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -3.525 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: 9, replica: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -39.699842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.699842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.699842 (E_RNA) where: Base-Base interactions energy: -10.501 where: short stacking energy: -7.841 Base-Backbone interact. energy: -0.009 local terms energy: -29.190262 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -43.127359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.127359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.127359 (E_RNA) where: Base-Base interactions energy: -14.194 where: short stacking energy: -13.050 Base-Backbone interact. energy: -0.006 local terms energy: -28.927339 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -6.707 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: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -76.041735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.041735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.041735 (E_RNA) where: Base-Base interactions energy: -41.229 where: short stacking energy: -22.427 Base-Backbone interact. energy: -0.006 local terms energy: -34.807219 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -9.274 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -62.316001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.316001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.316001 (E_RNA) where: Base-Base interactions energy: -23.936 where: short stacking energy: -23.541 Base-Backbone interact. energy: -0.322 local terms energy: -38.057106 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -7.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -57.828197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.828197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.828197 (E_RNA) where: Base-Base interactions energy: -21.626 where: short stacking energy: -21.626 Base-Backbone interact. energy: 0.212 local terms energy: -36.414699 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -8.778 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -54.537644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.537644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.537644 (E_RNA) where: Base-Base interactions energy: -18.658 where: short stacking energy: -18.658 Base-Backbone interact. energy: -0.000 local terms energy: -35.879699 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -49.794549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.794549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.794549 (E_RNA) where: Base-Base interactions energy: -24.055 where: short stacking energy: -14.820 Base-Backbone interact. energy: -0.045 local terms energy: -25.694715 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -51.091068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.091068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.091068 (E_RNA) where: Base-Base interactions energy: -16.342 where: short stacking energy: -16.342 Base-Backbone interact. energy: -0.012 local terms energy: -34.736972 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -6.935 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: 7, replica: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -43.520664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.520664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.520664 (E_RNA) where: Base-Base interactions energy: -13.342 where: short stacking energy: -13.342 Base-Backbone interact. energy: -0.000 local terms energy: -30.178576 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -1.251 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: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -53.293241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.293241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.293241 (E_RNA) where: Base-Base interactions energy: -20.304 where: short stacking energy: -20.304 Base-Backbone interact. energy: -0.001 local terms energy: -32.988039 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -49.476369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.476369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.476369 (E_RNA) where: Base-Base interactions energy: -17.424 where: short stacking energy: -12.185 Base-Backbone interact. energy: -0.008 local terms energy: -32.044286 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -42.028910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.028910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.028910 (E_RNA) where: Base-Base interactions energy: -17.727 where: short stacking energy: -17.727 Base-Backbone interact. energy: -0.010 local terms energy: -24.291810 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -5.123 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -5.469 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: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -69.165258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.165258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.165258 (E_RNA) where: Base-Base interactions energy: -31.373 where: short stacking energy: -31.373 Base-Backbone interact. energy: -0.382 local terms energy: -37.410109 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -2.664 tors. eta vs tors. theta energy: -8.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -69.891557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.891557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.891557 (E_RNA) where: Base-Base interactions energy: -34.643 where: short stacking energy: -27.852 Base-Backbone interact. energy: -0.028 local terms energy: -35.219764 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -8.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -61.893179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.893179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.893179 (E_RNA) where: Base-Base interactions energy: -26.659 where: short stacking energy: -26.659 Base-Backbone interact. energy: -0.335 local terms energy: -34.898954 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -4.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -51.685795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.685795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.685795 (E_RNA) where: Base-Base interactions energy: -20.500 where: short stacking energy: -20.500 Base-Backbone interact. energy: -0.152 local terms energy: -31.033784 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -54.154290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.154290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.154290 (E_RNA) where: Base-Base interactions energy: -22.684 where: short stacking energy: -22.684 Base-Backbone interact. energy: 0.396 local terms energy: -31.865898 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -50.809586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.809586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.809586 (E_RNA) where: Base-Base interactions energy: -20.257 where: short stacking energy: -20.257 Base-Backbone interact. energy: -0.005 local terms energy: -30.547542 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -40.541827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.541827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.541827 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.190 local terms energy: -26.946466 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -3.681 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -45.365496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.365496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.365496 (E_RNA) where: Base-Base interactions energy: -13.810 where: short stacking energy: -13.810 Base-Backbone interact. energy: 0.107 local terms energy: -31.662737 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -1.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -39.841999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.841999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.841999 (E_RNA) where: Base-Base interactions energy: -15.008 where: short stacking energy: -7.812 Base-Backbone interact. energy: -0.446 local terms energy: -24.388718 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -2.417 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -42.971216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.971216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.971216 (E_RNA) where: Base-Base interactions energy: -20.029 where: short stacking energy: -12.387 Base-Backbone interact. energy: -0.098 local terms energy: -22.844431 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -74.364503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.364503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.364503 (E_RNA) where: Base-Base interactions energy: -41.982 where: short stacking energy: -25.717 Base-Backbone interact. energy: -0.072 local terms energy: -32.310814 where: bonds (distance) C4'-P energy: -2.881 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -5.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -74.790168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.790168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.790168 (E_RNA) where: Base-Base interactions energy: -40.735 where: short stacking energy: -26.697 Base-Backbone interact. energy: -0.026 local terms energy: -34.029141 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -54.639954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.639954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.639954 (E_RNA) where: Base-Base interactions energy: -27.279 where: short stacking energy: -21.683 Base-Backbone interact. energy: -0.021 local terms energy: -27.340189 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: 0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -66.263060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.263060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.263060 (E_RNA) where: Base-Base interactions energy: -34.887 where: short stacking energy: -16.357 Base-Backbone interact. energy: -0.001 local terms energy: -31.375691 where: bonds (distance) C4'-P energy: -6.604 bonds (distance) P-C4' energy: -6.198 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -56.269644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.269644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.269644 (E_RNA) where: Base-Base interactions energy: -26.920 where: short stacking energy: -21.665 Base-Backbone interact. energy: -0.025 local terms energy: -29.324322 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.528 flat angles P-C4'-P energy: -1.425 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -51.548125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.548125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.548125 (E_RNA) where: Base-Base interactions energy: -27.347 where: short stacking energy: -16.522 Base-Backbone interact. energy: -0.183 local terms energy: -24.018173 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -48.475755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.475755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.475755 (E_RNA) where: Base-Base interactions energy: -16.650 where: short stacking energy: -14.959 Base-Backbone interact. energy: -0.001 local terms energy: -31.825417 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -9.116 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -51.478061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.478061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.478061 (E_RNA) where: Base-Base interactions energy: -17.689 where: short stacking energy: -17.689 Base-Backbone interact. energy: -0.099 local terms energy: -33.690873 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -5.995 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: 38 Temperature: 1.300000 Total energy: -41.805109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.805109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.805109 (E_RNA) where: Base-Base interactions energy: -13.507 where: short stacking energy: -13.507 Base-Backbone interact. energy: -0.001 local terms energy: -28.296873 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -7.213 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -42.459680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.459680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.459680 (E_RNA) where: Base-Base interactions energy: -13.137 where: short stacking energy: -13.137 Base-Backbone interact. energy: -0.001 local terms energy: -29.321853 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -68.681162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.681162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.681162 (E_RNA) where: Base-Base interactions energy: -31.859 where: short stacking energy: -31.859 Base-Backbone interact. energy: -0.000 local terms energy: -36.821922 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -7.903 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: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -74.168859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.168859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.168859 (E_RNA) where: Base-Base interactions energy: -41.562 where: short stacking energy: -26.801 Base-Backbone interact. energy: -0.053 local terms energy: -32.553902 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.512 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -6.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -54.971946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.971946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.971946 (E_RNA) where: Base-Base interactions energy: -21.537 where: short stacking energy: -21.537 Base-Backbone interact. energy: -0.093 local terms energy: -33.342406 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -5.388 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: 4, replica: 6 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -57.927700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.927700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.927700 (E_RNA) where: Base-Base interactions energy: -24.926 where: short stacking energy: -23.576 Base-Backbone interact. energy: -0.000 local terms energy: -33.001781 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -6.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -54.376337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.376337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.376337 (E_RNA) where: Base-Base interactions energy: -34.535 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.570 local terms energy: -19.270662 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -2.059 tors. eta vs tors. theta energy: 1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -54.417388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.417388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.417388 (E_RNA) where: Base-Base interactions energy: -24.099 where: short stacking energy: -20.688 Base-Backbone interact. energy: -0.185 local terms energy: -30.133898 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -47.814715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.814715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.814715 (E_RNA) where: Base-Base interactions energy: -20.642 where: short stacking energy: -14.625 Base-Backbone interact. energy: -0.074 local terms energy: -27.098735 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -45.530292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.530292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.530292 (E_RNA) where: Base-Base interactions energy: -17.166 where: short stacking energy: -17.166 Base-Backbone interact. energy: -0.003 local terms energy: -28.362012 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -41.508602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.508602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.508602 (E_RNA) where: Base-Base interactions energy: -15.006 where: short stacking energy: -14.640 Base-Backbone interact. energy: -0.398 local terms energy: -26.103742 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: 0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -37.198139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.198139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.198139 (E_RNA) where: Base-Base interactions energy: -14.448 where: short stacking energy: -14.518 Base-Backbone interact. energy: 0.036 local terms energy: -22.785723 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -5.499 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -65.818828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.818828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.818828 (E_RNA) where: Base-Base interactions energy: -26.886 where: short stacking energy: -26.886 Base-Backbone interact. energy: -0.003 local terms energy: -38.930401 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -6.267 flat angles P-C4'-P energy: -5.324 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: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -72.697606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.697606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.697606 (E_RNA) where: Base-Base interactions energy: -31.111 where: short stacking energy: -31.111 Base-Backbone interact. energy: -0.000 local terms energy: -41.586223 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -7.585 tors. eta vs tors. theta energy: -8.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -60.489863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.489863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.489863 (E_RNA) where: Base-Base interactions energy: -34.648 where: short stacking energy: -13.265 Base-Backbone interact. energy: -0.059 local terms energy: -25.782158 where: bonds (distance) C4'-P energy: -5.890 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: 0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -54.418990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.418990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.418990 (E_RNA) where: Base-Base interactions energy: -19.994 where: short stacking energy: -19.994 Base-Backbone interact. energy: -0.008 local terms energy: -34.416420 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -59.555829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.555829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.555829 (E_RNA) where: Base-Base interactions energy: -28.780 where: short stacking energy: -16.594 Base-Backbone interact. energy: -0.041 local terms energy: -30.734845 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -44.587350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.587350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.587350 (E_RNA) where: Base-Base interactions energy: -13.893 where: short stacking energy: -13.893 Base-Backbone interact. energy: -0.003 local terms energy: -30.691786 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -45.409615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.409615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.409615 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.336 Base-Backbone interact. energy: -0.067 local terms energy: -32.775131 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -8.097 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -46.349638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.349638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.349638 (E_RNA) where: Base-Base interactions energy: -15.290 where: short stacking energy: -15.290 Base-Backbone interact. energy: -0.042 local terms energy: -31.017402 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -43.982821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.982821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.982821 (E_RNA) where: Base-Base interactions energy: -18.615 where: short stacking energy: -12.141 Base-Backbone interact. energy: 0.085 local terms energy: -25.453099 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: 0.550 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: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -39.677672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.677672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.677672 (E_RNA) where: Base-Base interactions energy: -13.966 where: short stacking energy: -9.114 Base-Backbone interact. energy: -0.456 local terms energy: -25.255519 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -5.950 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: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -61.290324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.290324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.290324 (E_RNA) where: Base-Base interactions energy: -24.540 where: short stacking energy: -24.540 Base-Backbone interact. energy: -0.001 local terms energy: -36.749653 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -7.109 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: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -70.478270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.478270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.478270 (E_RNA) where: Base-Base interactions energy: -38.115 where: short stacking energy: -28.766 Base-Backbone interact. energy: 0.156 local terms energy: -32.519239 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -8.262 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -4.623 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: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -58.031838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.031838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.031838 (E_RNA) where: Base-Base interactions energy: -25.505 where: short stacking energy: -22.479 Base-Backbone interact. energy: -0.665 local terms energy: -31.861482 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -3.496 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: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -53.405429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.405429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.405429 (E_RNA) where: Base-Base interactions energy: -22.971 where: short stacking energy: -17.717 Base-Backbone interact. energy: -0.078 local terms energy: -30.356210 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -50.058524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.058524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.058524 (E_RNA) where: Base-Base interactions energy: -20.588 where: short stacking energy: -11.381 Base-Backbone interact. energy: -0.152 local terms energy: -29.318521 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -6.701 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: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -52.462070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.462070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.462070 (E_RNA) where: Base-Base interactions energy: -19.161 where: short stacking energy: -19.161 Base-Backbone interact. energy: -0.184 local terms energy: -33.117157 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -4.963 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: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -53.342340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.342340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.342340 (E_RNA) where: Base-Base interactions energy: -25.896 where: short stacking energy: -15.082 Base-Backbone interact. energy: -0.062 local terms energy: -27.384312 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -43.150952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.150952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.150952 (E_RNA) where: Base-Base interactions energy: -19.066 where: short stacking energy: -14.440 Base-Backbone interact. energy: -0.104 local terms energy: -23.981110 where: bonds (distance) C4'-P energy: -2.314 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -42.214353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.214353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.214353 (E_RNA) where: Base-Base interactions energy: -19.329 where: short stacking energy: -7.804 Base-Backbone interact. energy: -0.037 local terms energy: -22.848622 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -4.931 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: 2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -42.053250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.053250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.053250 (E_RNA) where: Base-Base interactions energy: -15.998 where: short stacking energy: -15.998 Base-Backbone interact. energy: -0.042 local terms energy: -26.013226 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -2.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -67.812804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.812804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.812804 (E_RNA) where: Base-Base interactions energy: -31.131 where: short stacking energy: -31.124 Base-Backbone interact. energy: -0.000 local terms energy: -36.682245 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -4.301 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: 2, replica: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -66.035721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.035721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.035721 (E_RNA) where: Base-Base interactions energy: -26.793 where: short stacking energy: -26.793 Base-Backbone interact. energy: -0.000 local terms energy: -39.242935 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -7.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -72.063343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.063343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.063343 (E_RNA) where: Base-Base interactions energy: -35.972 where: short stacking energy: -22.384 Base-Backbone interact. energy: -0.170 local terms energy: -35.921806 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -6.424 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -54.004643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.004643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.004643 (E_RNA) where: Base-Base interactions energy: -23.540 where: short stacking energy: -22.817 Base-Backbone interact. energy: -0.005 local terms energy: -30.459736 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -5.475 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -6.099 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -49.673045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.673045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.673045 (E_RNA) where: Base-Base interactions energy: -16.756 where: short stacking energy: -16.756 Base-Backbone interact. energy: -0.016 local terms energy: -32.901092 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -44.862238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.862238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.862238 (E_RNA) where: Base-Base interactions energy: -15.374 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.255 local terms energy: -29.233491 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -47.932067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.932067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.932067 (E_RNA) where: Base-Base interactions energy: -19.164 where: short stacking energy: -19.164 Base-Backbone interact. energy: -0.052 local terms energy: -28.716283 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -49.549580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.549580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.549580 (E_RNA) where: Base-Base interactions energy: -19.260 where: short stacking energy: -19.260 Base-Backbone interact. energy: -0.118 local terms energy: -30.172400 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -50.319779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.319779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.319779 (E_RNA) where: Base-Base interactions energy: -22.921 where: short stacking energy: -22.921 Base-Backbone interact. energy: -0.046 local terms energy: -27.352660 where: bonds (distance) C4'-P energy: -4.091 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -42.481872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.481872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.481872 (E_RNA) where: Base-Base interactions energy: -13.779 where: short stacking energy: -13.779 Base-Backbone interact. energy: -0.145 local terms energy: -28.557792 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -70.407854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.407854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.407854 (E_RNA) where: Base-Base interactions energy: -34.506 where: short stacking energy: -25.445 Base-Backbone interact. energy: 0.631 local terms energy: -36.532918 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.718 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -64.009502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.009502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.009502 (E_RNA) where: Base-Base interactions energy: -27.423 where: short stacking energy: -23.141 Base-Backbone interact. energy: -0.104 local terms energy: -36.482519 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -56.581440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.581440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.581440 (E_RNA) where: Base-Base interactions energy: -25.497 where: short stacking energy: -25.497 Base-Backbone interact. energy: -0.002 local terms energy: -31.081963 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -62.103817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.103817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.103817 (E_RNA) where: Base-Base interactions energy: -23.418 where: short stacking energy: -23.418 Base-Backbone interact. energy: -0.000 local terms energy: -38.685697 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -7.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -62.139076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.139076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.139076 (E_RNA) where: Base-Base interactions energy: -24.909 where: short stacking energy: -24.909 Base-Backbone interact. energy: -0.000 local terms energy: -37.229874 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -8.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -52.567582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.567582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.567582 (E_RNA) where: Base-Base interactions energy: -21.329 where: short stacking energy: -21.329 Base-Backbone interact. energy: -0.007 local terms energy: -31.231956 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -7.078 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -45.867750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.867750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.867750 (E_RNA) where: Base-Base interactions energy: -15.972 where: short stacking energy: -15.972 Base-Backbone interact. energy: -0.001 local terms energy: -29.894945 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -44.314149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.314149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.314149 (E_RNA) where: Base-Base interactions energy: -16.706 where: short stacking energy: -16.706 Base-Backbone interact. energy: -0.003 local terms energy: -27.605113 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -39.678969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.678969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.678969 (E_RNA) where: Base-Base interactions energy: -12.410 where: short stacking energy: -12.410 Base-Backbone interact. energy: -0.107 local terms energy: -27.162560 where: bonds (distance) C4'-P energy: -5.012 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -2.874 flat angles P-C4'-P energy: -6.710 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: 10, replica: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -41.551979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.551979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.551979 (E_RNA) where: Base-Base interactions energy: -13.042 where: short stacking energy: -10.191 Base-Backbone interact. energy: -0.010 local terms energy: -28.499880 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -71.161248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.161248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.161248 (E_RNA) where: Base-Base interactions energy: -34.105 where: short stacking energy: -34.105 Base-Backbone interact. energy: -0.000 local terms energy: -37.056563 where: bonds (distance) C4'-P energy: -7.211 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -5.957 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: 2, replica: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -65.859601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.859601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.859601 (E_RNA) where: Base-Base interactions energy: -34.413 where: short stacking energy: -26.575 Base-Backbone interact. energy: -0.000 local terms energy: -31.446179 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -62.293975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.293975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.293975 (E_RNA) where: Base-Base interactions energy: -27.975 where: short stacking energy: -27.975 Base-Backbone interact. energy: -0.000 local terms energy: -34.319179 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -8.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -64.308643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.308643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.308643 (E_RNA) where: Base-Base interactions energy: -30.674 where: short stacking energy: -24.366 Base-Backbone interact. energy: -0.001 local terms energy: -33.633579 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -48.857132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.857132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.857132 (E_RNA) where: Base-Base interactions energy: -22.467 where: short stacking energy: -22.467 Base-Backbone interact. energy: -0.011 local terms energy: -26.379194 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -53.076335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.076335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.076335 (E_RNA) where: Base-Base interactions energy: -19.693 where: short stacking energy: -16.670 Base-Backbone interact. energy: -0.001 local terms energy: -33.382167 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -3.565 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: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -49.921547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.921547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.921547 (E_RNA) where: Base-Base interactions energy: -18.737 where: short stacking energy: -18.737 Base-Backbone interact. energy: -0.001 local terms energy: -31.183543 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -1.520 tors. eta vs tors. theta energy: -6.839 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: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -39.691129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.691129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.691129 (E_RNA) where: Base-Base interactions energy: -14.476 where: short stacking energy: -5.414 Base-Backbone interact. energy: -0.344 local terms energy: -24.870836 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.182 flat angles C4'-P-C4' energy: -8.488 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: 3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -44.891350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.891350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.891350 (E_RNA) where: Base-Base interactions energy: -17.304 where: short stacking energy: -16.006 Base-Backbone interact. energy: -0.030 local terms energy: -27.557356 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -40.829730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.829730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.829730 (E_RNA) where: Base-Base interactions energy: -12.766 where: short stacking energy: -12.766 Base-Backbone interact. energy: -0.040 local terms energy: -28.023901 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: 0.395 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: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -66.413129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.413129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.413129 (E_RNA) where: Base-Base interactions energy: -33.437 where: short stacking energy: -33.095 Base-Backbone interact. energy: -0.042 local terms energy: -32.933981 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -61.456550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.456550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.456550 (E_RNA) where: Base-Base interactions energy: -28.370 where: short stacking energy: -25.307 Base-Backbone interact. energy: -0.009 local terms energy: -33.078153 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -81.574995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.574995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.574995 (E_RNA) where: Base-Base interactions energy: -45.118 where: short stacking energy: -26.024 Base-Backbone interact. energy: -0.001 local terms energy: -36.456186 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -5.915 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: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -57.487173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.487173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.487173 (E_RNA) where: Base-Base interactions energy: -33.125 where: short stacking energy: -20.813 Base-Backbone interact. energy: -0.003 local terms energy: -24.359050 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -5.138 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -55.639095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.639095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.639095 (E_RNA) where: Base-Base interactions energy: -21.873 where: short stacking energy: -20.115 Base-Backbone interact. energy: -0.002 local terms energy: -33.763589 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -4.113 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: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -48.255963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.255963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.255963 (E_RNA) where: Base-Base interactions energy: -20.670 where: short stacking energy: -20.670 Base-Backbone interact. energy: -0.004 local terms energy: -27.581931 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -5.419 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -5.914 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: 7, replica: 8 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -55.349296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.349296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.349296 (E_RNA) where: Base-Base interactions energy: -25.719 where: short stacking energy: -25.719 Base-Backbone interact. energy: -0.000 local terms energy: -29.629982 where: bonds (distance) C4'-P energy: -4.073 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -5.155 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: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -48.232799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.232799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.232799 (E_RNA) where: Base-Base interactions energy: -20.165 where: short stacking energy: -20.165 Base-Backbone interact. energy: -0.022 local terms energy: -28.046091 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -2.177 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: 4 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -43.790621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.790621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.790621 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -11.752 Base-Backbone interact. energy: -0.042 local terms energy: -31.818241 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -39.049185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.049185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.049185 (E_RNA) where: Base-Base interactions energy: -14.904 where: short stacking energy: -14.904 Base-Backbone interact. energy: -0.038 local terms energy: -24.107207 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -2.132 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: 1, replica: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -64.200997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.200997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.200997 (E_RNA) where: Base-Base interactions energy: -26.892 where: short stacking energy: -26.892 Base-Backbone interact. energy: -0.100 local terms energy: -37.209189 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.770 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -6.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -67.600312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.600312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.600312 (E_RNA) where: Base-Base interactions energy: -30.290 where: short stacking energy: -30.162 Base-Backbone interact. energy: -0.000 local terms energy: -37.310242 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -7.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -70.614033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.614033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.614033 (E_RNA) where: Base-Base interactions energy: -37.246 where: short stacking energy: -23.660 Base-Backbone interact. energy: -0.008 local terms energy: -33.359956 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -4.049 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: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -52.171362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.171362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.171362 (E_RNA) where: Base-Base interactions energy: -20.540 where: short stacking energy: -20.540 Base-Backbone interact. energy: -0.639 local terms energy: -30.992079 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -50.322818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.322818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.322818 (E_RNA) where: Base-Base interactions energy: -15.190 where: short stacking energy: -16.341 Base-Backbone interact. energy: -0.097 local terms energy: -35.035202 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -7.147 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: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -47.632596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.632596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.632596 (E_RNA) where: Base-Base interactions energy: -14.346 where: short stacking energy: -14.346 Base-Backbone interact. energy: -0.002 local terms energy: -33.285243 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -5.365 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: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -48.359789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.359789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.359789 (E_RNA) where: Base-Base interactions energy: -17.203 where: short stacking energy: -17.203 Base-Backbone interact. energy: 1.156 local terms energy: -32.313411 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.236 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: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -39.340395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.340395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.340395 (E_RNA) where: Base-Base interactions energy: -12.011 where: short stacking energy: -12.011 Base-Backbone interact. energy: -0.071 local terms energy: -27.258019 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -7.121 tors. eta vs tors. theta energy: -0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -42.971759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.971759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.971759 (E_RNA) where: Base-Base interactions energy: -17.814 where: short stacking energy: -17.814 Base-Backbone interact. energy: -0.001 local terms energy: -25.157341 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -2.807 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -4.152 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: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -43.330892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.330892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.330892 (E_RNA) where: Base-Base interactions energy: -17.981 where: short stacking energy: -15.470 Base-Backbone interact. energy: 0.385 local terms energy: -25.734546 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -67.275000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.275000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.275000 (E_RNA) where: Base-Base interactions energy: -30.018 where: short stacking energy: -30.018 Base-Backbone interact. energy: -0.000 local terms energy: -37.256663 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -10.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -65.859915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.859915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.859915 (E_RNA) where: Base-Base interactions energy: -28.550 where: short stacking energy: -21.876 Base-Backbone interact. energy: -0.000 local terms energy: -37.309378 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -6.569 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: 3, replica: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -66.016930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.016930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.016930 (E_RNA) where: Base-Base interactions energy: -28.360 where: short stacking energy: -27.662 Base-Backbone interact. energy: -0.000 local terms energy: -37.656964 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -6.058 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: 4, replica: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -62.730936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.730936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.730936 (E_RNA) where: Base-Base interactions energy: -30.585 where: short stacking energy: -17.624 Base-Backbone interact. energy: 0.062 local terms energy: -32.207731 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -55.518011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.518011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.518011 (E_RNA) where: Base-Base interactions energy: -23.703 where: short stacking energy: -23.703 Base-Backbone interact. energy: -0.000 local terms energy: -31.814944 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -4.197 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: 7 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -50.338869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.338869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.338869 (E_RNA) where: Base-Base interactions energy: -19.938 where: short stacking energy: -19.938 Base-Backbone interact. energy: -0.002 local terms energy: -30.399250 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -2.961 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -6.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -51.620148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.620148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.620148 (E_RNA) where: Base-Base interactions energy: -21.597 where: short stacking energy: -21.597 Base-Backbone interact. energy: -0.000 local terms energy: -30.022831 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -3.100 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: 8, replica: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -41.665311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.665311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.665311 (E_RNA) where: Base-Base interactions energy: -13.230 where: short stacking energy: -13.230 Base-Backbone interact. energy: -0.185 local terms energy: -28.249779 where: bonds (distance) C4'-P energy: -5.830 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -5.632 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: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -42.749305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.749305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.749305 (E_RNA) where: Base-Base interactions energy: -16.117 where: short stacking energy: -16.117 Base-Backbone interact. energy: -0.037 local terms energy: -26.595414 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -44.093393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.093393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.093393 (E_RNA) where: Base-Base interactions energy: -17.696 where: short stacking energy: -17.696 Base-Backbone interact. energy: -0.000 local terms energy: -26.397039 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -4.009 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -65.908741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.908741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.908741 (E_RNA) where: Base-Base interactions energy: -25.909 where: short stacking energy: -25.909 Base-Backbone interact. energy: -0.000 local terms energy: -39.999791 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -4.683 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: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -61.271965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.271965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.271965 (E_RNA) where: Base-Base interactions energy: -25.502 where: short stacking energy: -25.152 Base-Backbone interact. energy: -0.000 local terms energy: -35.770016 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -6.871 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: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -67.047747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.047747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.047747 (E_RNA) where: Base-Base interactions energy: -31.957 where: short stacking energy: -22.271 Base-Backbone interact. energy: -0.001 local terms energy: -35.089461 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -55.423629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.423629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.423629 (E_RNA) where: Base-Base interactions energy: -20.223 where: short stacking energy: -20.223 Base-Backbone interact. energy: -0.000 local terms energy: -35.200119 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -5.772 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: 5, replica: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -62.449191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.449191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.449191 (E_RNA) where: Base-Base interactions energy: -33.289 where: short stacking energy: -19.050 Base-Backbone interact. energy: -0.038 local terms energy: -29.122873 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.710 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -4.610 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: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -55.830572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.830572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.830572 (E_RNA) where: Base-Base interactions energy: -27.562 where: short stacking energy: -26.207 Base-Backbone interact. energy: -0.003 local terms energy: -28.265268 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -3.073 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -5.061 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: 7, replica: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -52.587846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.587846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.587846 (E_RNA) where: Base-Base interactions energy: -21.721 where: short stacking energy: -14.000 Base-Backbone interact. energy: -0.018 local terms energy: -30.848751 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -39.422468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.422468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.422468 (E_RNA) where: Base-Base interactions energy: -14.592 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.000 local terms energy: -24.830499 where: bonds (distance) C4'-P energy: -2.189 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -1.870 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -40.783508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.783508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.783508 (E_RNA) where: Base-Base interactions energy: -14.641 where: short stacking energy: -13.219 Base-Backbone interact. energy: -0.117 local terms energy: -26.025293 where: bonds (distance) C4'-P energy: -4.853 bonds (distance) P-C4' energy: -5.244 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -40.985301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.985301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.985301 (E_RNA) where: Base-Base interactions energy: -13.529 where: short stacking energy: -13.529 Base-Backbone interact. energy: -0.005 local terms energy: -27.451634 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: 2.810 tors. eta vs tors. theta energy: -5.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -57.477962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.477962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.477962 (E_RNA) where: Base-Base interactions energy: -23.608 where: short stacking energy: -23.608 Base-Backbone interact. energy: -0.026 local terms energy: -33.843540 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -64.272283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.272283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.272283 (E_RNA) where: Base-Base interactions energy: -29.012 where: short stacking energy: -29.012 Base-Backbone interact. energy: -0.000 local terms energy: -35.260088 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -6.608 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: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -62.625647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.625647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.625647 (E_RNA) where: Base-Base interactions energy: -23.544 where: short stacking energy: -23.544 Base-Backbone interact. energy: -0.000 local terms energy: -39.081411 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -5.227 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: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -63.867536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.867536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.867536 (E_RNA) where: Base-Base interactions energy: -31.371 where: short stacking energy: -19.184 Base-Backbone interact. energy: -0.086 local terms energy: -32.411076 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -5.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -48.499130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.499130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.499130 (E_RNA) where: Base-Base interactions energy: -22.164 where: short stacking energy: -16.757 Base-Backbone interact. energy: -0.016 local terms energy: -26.318706 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -51.920211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.920211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.920211 (E_RNA) where: Base-Base interactions energy: -24.770 where: short stacking energy: -15.996 Base-Backbone interact. energy: -0.022 local terms energy: -27.128019 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.580 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -46.489055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.489055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.489055 (E_RNA) where: Base-Base interactions energy: -16.986 where: short stacking energy: -16.986 Base-Backbone interact. energy: -0.198 local terms energy: -29.304109 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -4.765 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: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -45.063485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.063485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.063485 (E_RNA) where: Base-Base interactions energy: -18.481 where: short stacking energy: -15.897 Base-Backbone interact. energy: 0.242 local terms energy: -26.823695 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -42.802034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.802034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.802034 (E_RNA) where: Base-Base interactions energy: -16.534 where: short stacking energy: -16.534 Base-Backbone interact. energy: -0.068 local terms energy: -26.199807 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -42.761523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.761523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.761523 (E_RNA) where: Base-Base interactions energy: -17.416 where: short stacking energy: -17.351 Base-Backbone interact. energy: -0.080 local terms energy: -25.265021 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -6.580 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -6.235 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -60.988111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.988111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.988111 (E_RNA) where: Base-Base interactions energy: -28.510 where: short stacking energy: -19.130 Base-Backbone interact. energy: -0.506 local terms energy: -31.971806 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -66.192752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.192752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.192752 (E_RNA) where: Base-Base interactions energy: -32.911 where: short stacking energy: -22.495 Base-Backbone interact. energy: -0.007 local terms energy: -33.274565 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -5.716 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: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -55.773213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.773213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.773213 (E_RNA) where: Base-Base interactions energy: -25.070 where: short stacking energy: -25.070 Base-Backbone interact. energy: -0.000 local terms energy: -30.703242 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.894 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: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -50.559664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.559664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.559664 (E_RNA) where: Base-Base interactions energy: -20.813 where: short stacking energy: -20.653 Base-Backbone interact. energy: -0.000 local terms energy: -29.746861 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -3.237 flat angles P-C4'-P energy: -6.055 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: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -49.345310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.345310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.345310 (E_RNA) where: Base-Base interactions energy: -18.331 where: short stacking energy: -14.571 Base-Backbone interact. energy: -0.022 local terms energy: -30.992603 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -44.107745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.107745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.107745 (E_RNA) where: Base-Base interactions energy: -14.792 where: short stacking energy: -12.930 Base-Backbone interact. energy: -0.009 local terms energy: -29.306864 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.818 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -43.344068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.344068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.344068 (E_RNA) where: Base-Base interactions energy: -14.025 where: short stacking energy: -14.025 Base-Backbone interact. energy: -0.001 local terms energy: -29.317746 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -5.954 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -42.430490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.430490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.430490 (E_RNA) where: Base-Base interactions energy: -13.223 where: short stacking energy: -13.223 Base-Backbone interact. energy: -0.092 local terms energy: -29.115944 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -0.929 tors. eta vs tors. theta energy: -4.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -41.170351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.170351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.170351 (E_RNA) where: Base-Base interactions energy: -14.140 where: short stacking energy: -14.140 Base-Backbone interact. energy: -0.117 local terms energy: -26.913871 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.588 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -43.464224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.464224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.464224 (E_RNA) where: Base-Base interactions energy: -14.777 where: short stacking energy: -14.777 Base-Backbone interact. energy: -0.000 local terms energy: -28.687088 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -60.566173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.566173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.566173 (E_RNA) where: Base-Base interactions energy: -24.888 where: short stacking energy: -24.888 Base-Backbone interact. energy: -0.003 local terms energy: -35.674760 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -6.139 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: 2, replica: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -62.584679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.584679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.584679 (E_RNA) where: Base-Base interactions energy: -29.458 where: short stacking energy: -29.458 Base-Backbone interact. energy: -0.012 local terms energy: -33.114808 where: bonds (distance) C4'-P energy: -3.192 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -7.534 tors. eta vs tors. theta energy: -7.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -63.477164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.477164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.477164 (E_RNA) where: Base-Base interactions energy: -28.757 where: short stacking energy: -25.314 Base-Backbone interact. energy: -0.000 local terms energy: -34.719778 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -5.689 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: 4, replica: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -61.226751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.226751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.226751 (E_RNA) where: Base-Base interactions energy: -27.654 where: short stacking energy: -18.249 Base-Backbone interact. energy: -0.031 local terms energy: -33.542462 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -50.288092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.288092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.288092 (E_RNA) where: Base-Base interactions energy: -21.874 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.899 local terms energy: -27.515120 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.511 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: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -52.615701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.615701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.615701 (E_RNA) where: Base-Base interactions energy: -33.890 where: short stacking energy: -17.633 Base-Backbone interact. energy: -0.028 local terms energy: -18.697783 where: bonds (distance) C4'-P energy: -3.199 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -45.426743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.426743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.426743 (E_RNA) where: Base-Base interactions energy: -16.343 where: short stacking energy: -16.343 Base-Backbone interact. energy: -0.238 local terms energy: -28.844909 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -4.758 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: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -43.029892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.029892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.029892 (E_RNA) where: Base-Base interactions energy: -16.893 where: short stacking energy: -16.893 Base-Backbone interact. energy: -0.130 local terms energy: -26.006983 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -45.257204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.257204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.257204 (E_RNA) where: Base-Base interactions energy: -23.268 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.001 local terms energy: -21.987547 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -5.256 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -1.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -42.000420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.000420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.000420 (E_RNA) where: Base-Base interactions energy: -17.768 where: short stacking energy: -17.768 Base-Backbone interact. energy: -0.076 local terms energy: -24.156280 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -3.396 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -3.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -72.739269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.739269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.739269 (E_RNA) where: Base-Base interactions energy: -34.127 where: short stacking energy: -34.127 Base-Backbone interact. energy: -0.000 local terms energy: -38.612493 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.467 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -5.199 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: 2, replica: 9 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -75.084894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.084894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.084894 (E_RNA) where: Base-Base interactions energy: -34.873 where: short stacking energy: -34.873 Base-Backbone interact. energy: -0.000 local terms energy: -40.211868 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -10.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -68.689670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.689670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.689670 (E_RNA) where: Base-Base interactions energy: -36.285 where: short stacking energy: -22.044 Base-Backbone interact. energy: -0.001 local terms energy: -32.403745 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -5.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -55.544860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.544860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.544860 (E_RNA) where: Base-Base interactions energy: -24.929 where: short stacking energy: -24.929 Base-Backbone interact. energy: -0.000 local terms energy: -30.615782 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -5.257 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: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -56.317592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.317592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.317592 (E_RNA) where: Base-Base interactions energy: -19.693 where: short stacking energy: -19.693 Base-Backbone interact. energy: -0.015 local terms energy: -36.609589 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -7.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -62.997243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.997243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.997243 (E_RNA) where: Base-Base interactions energy: -28.919 where: short stacking energy: -23.054 Base-Backbone interact. energy: -0.022 local terms energy: -34.056313 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.008 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -49.134148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.134148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.134148 (E_RNA) where: Base-Base interactions energy: -16.684 where: short stacking energy: -16.684 Base-Backbone interact. energy: -0.046 local terms energy: -32.403536 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -5.884 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: 6 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -42.803937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.803937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.803937 (E_RNA) where: Base-Base interactions energy: -9.711 where: short stacking energy: -9.711 Base-Backbone interact. energy: -0.000 local terms energy: -33.093353 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -53.259426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.259426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.259426 (E_RNA) where: Base-Base interactions energy: -18.839 where: short stacking energy: -18.839 Base-Backbone interact. energy: -0.005 local terms energy: -34.415546 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -6.763 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: 10, replica: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -43.006932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.006932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.006932 (E_RNA) where: Base-Base interactions energy: -14.135 where: short stacking energy: -14.135 Base-Backbone interact. energy: -0.071 local terms energy: -28.799981 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -4.234 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -2.974 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: 1, replica: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -73.230265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.230265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.230265 (E_RNA) where: Base-Base interactions energy: -37.908 where: short stacking energy: -28.766 Base-Backbone interact. energy: -0.001 local terms energy: -35.320764 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -4.927 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: 2, replica: 9 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -59.386642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.386642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.386642 (E_RNA) where: Base-Base interactions energy: -25.530 where: short stacking energy: -25.530 Base-Backbone interact. energy: -0.024 local terms energy: -33.833218 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -6.708 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -69.598538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.598538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.598538 (E_RNA) where: Base-Base interactions energy: -39.526 where: short stacking energy: -20.879 Base-Backbone interact. energy: -0.201 local terms energy: -29.871267 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -51.260352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.260352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.260352 (E_RNA) where: Base-Base interactions energy: -20.671 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.402 local terms energy: -30.186982 where: bonds (distance) C4'-P energy: -5.654 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -49.652056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.652056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.652056 (E_RNA) where: Base-Base interactions energy: -13.808 where: short stacking energy: -13.808 Base-Backbone interact. energy: -0.000 local terms energy: -35.843584 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -49.118636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.118636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.118636 (E_RNA) where: Base-Base interactions energy: -17.290 where: short stacking energy: -16.260 Base-Backbone interact. energy: -0.001 local terms energy: -31.827792 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.266 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -50.477900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.477900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.477900 (E_RNA) where: Base-Base interactions energy: -19.206 where: short stacking energy: -19.206 Base-Backbone interact. energy: -0.002 local terms energy: -31.270102 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -4.834 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -8.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -50.734462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.734462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.734462 (E_RNA) where: Base-Base interactions energy: -16.473 where: short stacking energy: -16.473 Base-Backbone interact. energy: -0.060 local terms energy: -34.201875 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -3.172 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: 9, replica: 6 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -47.900911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.900911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.900911 (E_RNA) where: Base-Base interactions energy: -18.659 where: short stacking energy: -18.659 Base-Backbone interact. energy: -0.096 local terms energy: -29.146197 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -52.986906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.986906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.986906 (E_RNA) where: Base-Base interactions energy: -27.126 where: short stacking energy: -17.119 Base-Backbone interact. energy: -0.002 local terms energy: -25.858930 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -2.667 flat angles P-C4'-P energy: -4.514 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: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -69.704002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.704002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.704002 (E_RNA) where: Base-Base interactions energy: -32.889 where: short stacking energy: -26.659 Base-Backbone interact. energy: -0.609 local terms energy: -36.206148 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.371 flat angles C4'-P-C4' energy: -8.686 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -60.363682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.363682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.363682 (E_RNA) where: Base-Base interactions energy: -25.412 where: short stacking energy: -25.612 Base-Backbone interact. energy: -0.038 local terms energy: -34.913886 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -63.664138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.664138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.664138 (E_RNA) where: Base-Base interactions energy: -26.662 where: short stacking energy: -26.662 Base-Backbone interact. energy: -0.067 local terms energy: -36.935617 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -9.250 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -7.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -57.782478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.782478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.782478 (E_RNA) where: Base-Base interactions energy: -29.959 where: short stacking energy: -14.897 Base-Backbone interact. energy: 0.075 local terms energy: -27.899167 where: bonds (distance) C4'-P energy: -3.584 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -56.830580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.830580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.830580 (E_RNA) where: Base-Base interactions energy: -25.407 where: short stacking energy: -25.407 Base-Backbone interact. energy: -0.011 local terms energy: -31.412727 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: -4.328 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: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -51.933284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.933284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.933284 (E_RNA) where: Base-Base interactions energy: -22.023 where: short stacking energy: -22.023 Base-Backbone interact. energy: -0.021 local terms energy: -29.888569 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -49.766211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.766211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.766211 (E_RNA) where: Base-Base interactions energy: -18.427 where: short stacking energy: -18.427 Base-Backbone interact. energy: -0.004 local terms energy: -31.334657 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -43.201243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.201243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.201243 (E_RNA) where: Base-Base interactions energy: -15.858 where: short stacking energy: -15.858 Base-Backbone interact. energy: -0.002 local terms energy: -27.341294 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -2.768 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: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -40.507505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.507505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.507505 (E_RNA) where: Base-Base interactions energy: -15.702 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.060 local terms energy: -24.745076 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: 0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -39.516953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.516953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.516953 (E_RNA) where: Base-Base interactions energy: -17.462 where: short stacking energy: -17.462 Base-Backbone interact. energy: -0.145 local terms energy: -21.910279 where: bonds (distance) C4'-P energy: -6.412 bonds (distance) P-C4' energy: -5.111 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.191 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: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -67.226296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.226296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.226296 (E_RNA) where: Base-Base interactions energy: -29.472 where: short stacking energy: -22.996 Base-Backbone interact. energy: -0.002 local terms energy: -37.751885 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -6.994 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: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -56.407694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.407694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.407694 (E_RNA) where: Base-Base interactions energy: -25.638 where: short stacking energy: -23.512 Base-Backbone interact. energy: -0.036 local terms energy: -30.734175 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -3.441 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: 3, replica: 9 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -64.795945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.795945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.795945 (E_RNA) where: Base-Base interactions energy: -28.465 where: short stacking energy: -28.465 Base-Backbone interact. energy: -0.012 local terms energy: -36.319069 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -8.117 flat angles P-C4'-P energy: -5.876 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: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -57.237122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.237122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.237122 (E_RNA) where: Base-Base interactions energy: -30.339 where: short stacking energy: -17.504 Base-Backbone interact. energy: -0.023 local terms energy: -26.875587 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -0.634 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: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -58.342910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.342910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.342910 (E_RNA) where: Base-Base interactions energy: -30.204 where: short stacking energy: -20.280 Base-Backbone interact. energy: -0.014 local terms energy: -28.125188 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -5.307 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: 6, replica: 8 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -61.944657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.944657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.944657 (E_RNA) where: Base-Base interactions energy: -33.882 where: short stacking energy: -24.069 Base-Backbone interact. energy: -0.008 local terms energy: -28.054256 where: bonds (distance) C4'-P energy: -4.935 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -50.242487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.242487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.242487 (E_RNA) where: Base-Base interactions energy: -22.809 where: short stacking energy: -22.809 Base-Backbone interact. energy: -0.000 local terms energy: -27.433186 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -4.361 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: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -49.049394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.049394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.049394 (E_RNA) where: Base-Base interactions energy: -18.732 where: short stacking energy: -18.732 Base-Backbone interact. energy: -0.000 local terms energy: -30.317073 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -6.751 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -6.737 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: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -43.457331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.457331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.457331 (E_RNA) where: Base-Base interactions energy: -18.235 where: short stacking energy: -18.235 Base-Backbone interact. energy: -0.016 local terms energy: -25.206922 where: bonds (distance) C4'-P energy: -3.788 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -40.471713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.471713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.471713 (E_RNA) where: Base-Base interactions energy: -12.757 where: short stacking energy: -13.257 Base-Backbone interact. energy: -0.265 local terms energy: -27.449324 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -66.795466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.795466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.795466 (E_RNA) where: Base-Base interactions energy: -36.160 where: short stacking energy: -13.154 Base-Backbone interact. energy: -0.104 local terms energy: -30.531456 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -7.345 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -69.224067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.224067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.224067 (E_RNA) where: Base-Base interactions energy: -28.031 where: short stacking energy: -28.031 Base-Backbone interact. energy: -0.000 local terms energy: -41.193411 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -10.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -58.567605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.567605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.567605 (E_RNA) where: Base-Base interactions energy: -22.136 where: short stacking energy: -22.136 Base-Backbone interact. energy: -0.098 local terms energy: -36.333565 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -58.974784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.974784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.974784 (E_RNA) where: Base-Base interactions energy: -28.023 where: short stacking energy: -23.993 Base-Backbone interact. energy: -0.000 local terms energy: -30.951388 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -4.877 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: 5, replica: 8 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -62.293076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.293076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.293076 (E_RNA) where: Base-Base interactions energy: -35.452 where: short stacking energy: -22.517 Base-Backbone interact. energy: -0.094 local terms energy: -26.746735 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.452 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -43.672860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.672860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.672860 (E_RNA) where: Base-Base interactions energy: -21.562 where: short stacking energy: -15.048 Base-Backbone interact. energy: 0.291 local terms energy: -22.401784 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.806 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: 0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -40.773840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.773840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.773840 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.007 local terms energy: -28.855905 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -43.021585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.021585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.021585 (E_RNA) where: Base-Base interactions energy: -13.647 where: short stacking energy: -13.647 Base-Backbone interact. energy: -0.053 local terms energy: -29.321834 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.855 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -6.963 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -42.607555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.607555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.607555 (E_RNA) where: Base-Base interactions energy: -13.683 where: short stacking energy: -12.751 Base-Backbone interact. energy: -0.033 local terms energy: -28.892008 where: bonds (distance) C4'-P energy: -5.337 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -5.099 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: 10, replica: 3 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -44.189768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.189768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.189768 (E_RNA) where: Base-Base interactions energy: -14.732 where: short stacking energy: -14.732 Base-Backbone interact. energy: -0.098 local terms energy: -29.359692 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -74.130207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.130207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.130207 (E_RNA) where: Base-Base interactions energy: -42.368 where: short stacking energy: -16.303 Base-Backbone interact. energy: -0.271 local terms energy: -31.491403 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -6.635 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -59.598898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.598898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.598898 (E_RNA) where: Base-Base interactions energy: -23.676 where: short stacking energy: -17.371 Base-Backbone interact. energy: -0.254 local terms energy: -35.668238 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -53.374308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.374308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.374308 (E_RNA) where: Base-Base interactions energy: -20.954 where: short stacking energy: -20.954 Base-Backbone interact. energy: -0.358 local terms energy: -32.061879 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -3.801 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: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -62.449994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.449994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.449994 (E_RNA) where: Base-Base interactions energy: -28.989 where: short stacking energy: -28.989 Base-Backbone interact. energy: -0.000 local terms energy: -33.460876 where: bonds (distance) C4'-P energy: -5.489 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -2.976 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: 5, replica: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -47.517697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.517697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.517697 (E_RNA) where: Base-Base interactions energy: -18.522 where: short stacking energy: -18.522 Base-Backbone interact. energy: -0.039 local terms energy: -28.957073 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -6.329 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: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -54.992199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.992199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.992199 (E_RNA) where: Base-Base interactions energy: -25.187 where: short stacking energy: -15.080 Base-Backbone interact. energy: -0.097 local terms energy: -29.708298 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.803 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -0.501 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: 2 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -44.318007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.318007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.318007 (E_RNA) where: Base-Base interactions energy: -18.890 where: short stacking energy: -18.618 Base-Backbone interact. energy: -0.026 local terms energy: -25.401927 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.527 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -5.749 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: 8, replica: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -38.031723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.031723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.031723 (E_RNA) where: Base-Base interactions energy: -8.260 where: short stacking energy: -9.360 Base-Backbone interact. energy: -0.143 local terms energy: -29.628723 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.615 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: 0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -39.617733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.617733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.617733 (E_RNA) where: Base-Base interactions energy: -13.408 where: short stacking energy: -13.140 Base-Backbone interact. energy: -0.030 local terms energy: -26.180309 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -1.002 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -45.670652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.670652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.670652 (E_RNA) where: Base-Base interactions energy: -19.096 where: short stacking energy: -19.096 Base-Backbone interact. energy: -0.101 local terms energy: -26.473541 where: bonds (distance) C4'-P energy: -1.216 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -4.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -58.697644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.697644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.697644 (E_RNA) where: Base-Base interactions energy: -21.868 where: short stacking energy: -21.813 Base-Backbone interact. energy: -0.024 local terms energy: -36.805488 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -6.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -73.018740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.018740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.018740 (E_RNA) where: Base-Base interactions energy: -38.119 where: short stacking energy: -16.827 Base-Backbone interact. energy: -0.135 local terms energy: -34.765085 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -7.714 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: 58 Temperature: 1.000000 Total energy: -58.450381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.450381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.450381 (E_RNA) where: Base-Base interactions energy: -26.876 where: short stacking energy: -17.960 Base-Backbone interact. energy: -0.044 local terms energy: -31.530709 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -7.594 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -53.121693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.121693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.121693 (E_RNA) where: Base-Base interactions energy: -20.623 where: short stacking energy: -20.040 Base-Backbone interact. energy: -0.005 local terms energy: -32.493697 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -55.936207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.936207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.936207 (E_RNA) where: Base-Base interactions energy: -30.936 where: short stacking energy: -18.841 Base-Backbone interact. energy: -0.001 local terms energy: -24.999907 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -3.606 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: 0.374 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -47.543276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.543276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.543276 (E_RNA) where: Base-Base interactions energy: -22.246 where: short stacking energy: -22.246 Base-Backbone interact. energy: -0.000 local terms energy: -25.297416 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: 0.906 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -55.076532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.076532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.076532 (E_RNA) where: Base-Base interactions energy: -27.817 where: short stacking energy: -15.372 Base-Backbone interact. energy: -0.022 local terms energy: -27.237720 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -45.683034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.683034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.683034 (E_RNA) where: Base-Base interactions energy: -21.870 where: short stacking energy: -21.870 Base-Backbone interact. energy: -0.001 local terms energy: -23.812164 where: bonds (distance) C4'-P energy: -4.583 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.769 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -50.129382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.129382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.129382 (E_RNA) where: Base-Base interactions energy: -15.599 where: short stacking energy: -12.615 Base-Backbone interact. energy: -0.001 local terms energy: -34.528824 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -44.908323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.908323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.908323 (E_RNA) where: Base-Base interactions energy: -18.593 where: short stacking energy: -15.225 Base-Backbone interact. energy: -0.123 local terms energy: -26.192309 where: bonds (distance) C4'-P energy: -0.711 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -5.959 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: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -59.299638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.299638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.299638 (E_RNA) where: Base-Base interactions energy: -25.135 where: short stacking energy: -24.675 Base-Backbone interact. energy: -0.016 local terms energy: -34.149457 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -9.202 flat angles P-C4'-P energy: -3.639 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: 2, replica: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -58.359206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.359206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.359206 (E_RNA) where: Base-Base interactions energy: -26.153 where: short stacking energy: -14.393 Base-Backbone interact. energy: -0.001 local terms energy: -32.205511 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.999 flat angles P-C4'-P energy: -6.271 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: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -55.249749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.249749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.249749 (E_RNA) where: Base-Base interactions energy: -18.888 where: short stacking energy: -18.888 Base-Backbone interact. energy: -0.003 local terms energy: -36.358088 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -4.591 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: 4, replica: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -55.241511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.241511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.241511 (E_RNA) where: Base-Base interactions energy: -24.091 where: short stacking energy: -23.692 Base-Backbone interact. energy: -0.087 local terms energy: -31.063094 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -55.467895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.467895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.467895 (E_RNA) where: Base-Base interactions energy: -26.476 where: short stacking energy: -18.384 Base-Backbone interact. energy: -0.001 local terms energy: -28.991180 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.849 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -2.837 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: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -53.658491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.658491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.658491 (E_RNA) where: Base-Base interactions energy: -21.271 where: short stacking energy: -21.271 Base-Backbone interact. energy: -0.063 local terms energy: -32.323740 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -7.531 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: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -44.138357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.138357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.138357 (E_RNA) where: Base-Base interactions energy: -16.202 where: short stacking energy: -16.202 Base-Backbone interact. energy: -0.188 local terms energy: -27.747997 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -2.561 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: 8, replica: 3 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -40.371536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.371536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.371536 (E_RNA) where: Base-Base interactions energy: -14.666 where: short stacking energy: -11.548 Base-Backbone interact. energy: -1.676 local terms energy: -24.030104 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -43.999077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.999077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.999077 (E_RNA) where: Base-Base interactions energy: -17.555 where: short stacking energy: -17.555 Base-Backbone interact. energy: -0.059 local terms energy: -26.384732 where: bonds (distance) C4'-P energy: -2.989 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -4.235 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: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -34.020862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.020862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.020862 (E_RNA) where: Base-Base interactions energy: -13.863 where: short stacking energy: -13.863 Base-Backbone interact. energy: -0.141 local terms energy: -20.016096 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -2.276 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -3.817 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: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -61.221354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.221354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.221354 (E_RNA) where: Base-Base interactions energy: -26.843 where: short stacking energy: -17.329 Base-Backbone interact. energy: -0.355 local terms energy: -34.023787 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -64.169579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.169579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.169579 (E_RNA) where: Base-Base interactions energy: -26.624 where: short stacking energy: -19.380 Base-Backbone interact. energy: -0.005 local terms energy: -37.540048 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -8.019 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -8.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -65.356403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.356403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.356403 (E_RNA) where: Base-Base interactions energy: -30.793 where: short stacking energy: -22.014 Base-Backbone interact. energy: -0.000 local terms energy: -34.562973 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -4.969 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: 10 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -57.488877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.488877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.488877 (E_RNA) where: Base-Base interactions energy: -25.249 where: short stacking energy: -25.249 Base-Backbone interact. energy: -0.073 local terms energy: -32.166600 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -7.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -51.424786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.424786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.424786 (E_RNA) where: Base-Base interactions energy: -20.606 where: short stacking energy: -20.606 Base-Backbone interact. energy: -0.049 local terms energy: -30.769619 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -49.032271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.032271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.032271 (E_RNA) where: Base-Base interactions energy: -21.121 where: short stacking energy: -21.014 Base-Backbone interact. energy: 0.368 local terms energy: -28.278830 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -6.830 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -6.812 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: 7, replica: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -46.334361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.334361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.334361 (E_RNA) where: Base-Base interactions energy: -16.625 where: short stacking energy: -16.625 Base-Backbone interact. energy: -0.027 local terms energy: -29.681445 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -9.081 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -39.558382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.558382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.558382 (E_RNA) where: Base-Base interactions energy: -10.502 where: short stacking energy: -10.502 Base-Backbone interact. energy: -0.097 local terms energy: -28.959183 where: bonds (distance) C4'-P energy: -6.090 bonds (distance) P-C4' energy: -6.596 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -43.523847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.523847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.523847 (E_RNA) where: Base-Base interactions energy: -15.205 where: short stacking energy: -15.205 Base-Backbone interact. energy: -0.004 local terms energy: -28.315594 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -4.690 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -44.831199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.831199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.831199 (E_RNA) where: Base-Base interactions energy: -18.227 where: short stacking energy: -14.071 Base-Backbone interact. energy: -0.452 local terms energy: -26.153047 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -0.036 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: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -61.553599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.553599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.553599 (E_RNA) where: Base-Base interactions energy: -25.439 where: short stacking energy: -25.439 Base-Backbone interact. energy: -0.096 local terms energy: -36.018374 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -6.430 tors. eta vs tors. theta energy: -8.039 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: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -65.706168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.706168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.706168 (E_RNA) where: Base-Base interactions energy: -26.263 where: short stacking energy: -26.263 Base-Backbone interact. energy: -0.000 local terms energy: -39.442664 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -7.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -55.480794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.480794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.480794 (E_RNA) where: Base-Base interactions energy: -28.344 where: short stacking energy: -23.357 Base-Backbone interact. energy: 0.129 local terms energy: -27.265278 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -50.736397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.736397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.736397 (E_RNA) where: Base-Base interactions energy: -24.496 where: short stacking energy: -14.180 Base-Backbone interact. energy: -0.007 local terms energy: -26.232829 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -6.592 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: 5, replica: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -56.435236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.435236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.435236 (E_RNA) where: Base-Base interactions energy: -28.962 where: short stacking energy: -14.290 Base-Backbone interact. energy: -0.007 local terms energy: -27.466323 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -0.732 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -54.458778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.458778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.458778 (E_RNA) where: Base-Base interactions energy: -25.825 where: short stacking energy: -25.825 Base-Backbone interact. energy: -0.058 local terms energy: -28.576202 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -2.375 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: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -47.043367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.043367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.043367 (E_RNA) where: Base-Base interactions energy: -17.215 where: short stacking energy: -9.000 Base-Backbone interact. energy: -0.009 local terms energy: -29.819022 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -48.159348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.159348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.159348 (E_RNA) where: Base-Base interactions energy: -18.988 where: short stacking energy: -18.837 Base-Backbone interact. energy: -0.001 local terms energy: -29.170392 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -1.890 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -43.322597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.322597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.322597 (E_RNA) where: Base-Base interactions energy: -14.442 where: short stacking energy: -14.442 Base-Backbone interact. energy: -0.079 local terms energy: -28.801649 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -5.244 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: 10, replica: 2 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -45.467039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.467039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.467039 (E_RNA) where: Base-Base interactions energy: -15.874 where: short stacking energy: -15.684 Base-Backbone interact. energy: -0.008 local terms energy: -29.584377 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.238 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -65.272174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.272174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.272174 (E_RNA) where: Base-Base interactions energy: -28.978 where: short stacking energy: -28.978 Base-Backbone interact. energy: -0.002 local terms energy: -36.292782 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -8.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -56.798650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.798650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.798650 (E_RNA) where: Base-Base interactions energy: -27.241 where: short stacking energy: -27.241 Base-Backbone interact. energy: -0.089 local terms energy: -29.468575 where: bonds (distance) C4'-P energy: -4.890 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -5.482 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: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -61.683908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.683908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.683908 (E_RNA) where: Base-Base interactions energy: -27.913 where: short stacking energy: -27.913 Base-Backbone interact. energy: -0.098 local terms energy: -33.672935 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -8.263 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -6.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -57.467857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.467857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.467857 (E_RNA) where: Base-Base interactions energy: -22.559 where: short stacking energy: -22.559 Base-Backbone interact. energy: -0.000 local terms energy: -34.908308 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -10.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -56.866003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.866003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.866003 (E_RNA) where: Base-Base interactions energy: -29.207 where: short stacking energy: -29.207 Base-Backbone interact. energy: -0.004 local terms energy: -27.654894 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -4.894 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -7.449 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: 10 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -60.225135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.225135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.225135 (E_RNA) where: Base-Base interactions energy: -20.170 where: short stacking energy: -19.886 Base-Backbone interact. energy: -0.000 local terms energy: -40.054809 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -9.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -46.927555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.927555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.927555 (E_RNA) where: Base-Base interactions energy: -17.266 where: short stacking energy: -17.266 Base-Backbone interact. energy: -0.000 local terms energy: -29.661858 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -5.027 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: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -47.804317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.804317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.804317 (E_RNA) where: Base-Base interactions energy: -19.026 where: short stacking energy: -16.634 Base-Backbone interact. energy: -0.135 local terms energy: -28.643691 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -42.216299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.216299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.216299 (E_RNA) where: Base-Base interactions energy: -16.456 where: short stacking energy: -16.456 Base-Backbone interact. energy: -0.008 local terms energy: -25.751728 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -38.317350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.317350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.317350 (E_RNA) where: Base-Base interactions energy: -16.042 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.445 local terms energy: -21.830991 where: bonds (distance) C4'-P energy: -4.567 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -2.483 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -65.466048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.466048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.466048 (E_RNA) where: Base-Base interactions energy: -28.965 where: short stacking energy: -28.965 Base-Backbone interact. energy: -0.006 local terms energy: -36.494384 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -8.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -73.112820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.112820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.112820 (E_RNA) where: Base-Base interactions energy: -45.018 where: short stacking energy: -22.787 Base-Backbone interact. energy: -0.082 local terms energy: -28.012842 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -5.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -61.098644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.098644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.098644 (E_RNA) where: Base-Base interactions energy: -27.674 where: short stacking energy: -27.674 Base-Backbone interact. energy: -0.001 local terms energy: -33.423258 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -5.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -53.424940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.424940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.424940 (E_RNA) where: Base-Base interactions energy: -19.045 where: short stacking energy: -18.154 Base-Backbone interact. energy: -0.002 local terms energy: -34.378317 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -49.958462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.958462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.958462 (E_RNA) where: Base-Base interactions energy: -21.212 where: short stacking energy: -21.212 Base-Backbone interact. energy: -0.011 local terms energy: -28.734672 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -49.740609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.740609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.740609 (E_RNA) where: Base-Base interactions energy: -16.635 where: short stacking energy: -16.635 Base-Backbone interact. energy: -0.084 local terms energy: -33.021007 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -0.537 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: 10 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -55.021392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.021392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.021392 (E_RNA) where: Base-Base interactions energy: -28.630 where: short stacking energy: -18.036 Base-Backbone interact. energy: -0.245 local terms energy: -26.146309 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -46.497154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.497154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.497154 (E_RNA) where: Base-Base interactions energy: -14.957 where: short stacking energy: -14.957 Base-Backbone interact. energy: -0.000 local terms energy: -31.540533 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -49.925073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.925073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.925073 (E_RNA) where: Base-Base interactions energy: -21.106 where: short stacking energy: -21.106 Base-Backbone interact. energy: -0.002 local terms energy: -28.816727 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -5.552 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: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -39.766048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.766048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.766048 (E_RNA) where: Base-Base interactions energy: -10.419 where: short stacking energy: -10.419 Base-Backbone interact. energy: -0.063 local terms energy: -29.284317 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -5.465 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: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -65.399303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.399303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.399303 (E_RNA) where: Base-Base interactions energy: -30.494 where: short stacking energy: -30.494 Base-Backbone interact. energy: -0.008 local terms energy: -34.897351 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -2.309 tors. eta vs tors. theta energy: -9.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -59.955225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.955225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.955225 (E_RNA) where: Base-Base interactions energy: -27.516 where: short stacking energy: -24.215 Base-Backbone interact. energy: -0.080 local terms energy: -32.359906 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.805 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -63.359048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.359048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.359048 (E_RNA) where: Base-Base interactions energy: -26.666 where: short stacking energy: -26.666 Base-Backbone interact. energy: -0.000 local terms energy: -36.692967 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -6.327 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -7.270 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: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -60.212999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.212999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.212999 (E_RNA) where: Base-Base interactions energy: -24.228 where: short stacking energy: -21.734 Base-Backbone interact. energy: -0.110 local terms energy: -35.874855 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -5.699 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: 5, replica: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -53.580940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.580940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.580940 (E_RNA) where: Base-Base interactions energy: -25.584 where: short stacking energy: -25.584 Base-Backbone interact. energy: -0.001 local terms energy: -27.995568 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -61.358169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.358169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.358169 (E_RNA) where: Base-Base interactions energy: -28.861 where: short stacking energy: -19.645 Base-Backbone interact. energy: -0.034 local terms energy: -32.463067 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -7.634 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -5.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -63.957388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.957388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.957388 (E_RNA) where: Base-Base interactions energy: -33.442 where: short stacking energy: -24.246 Base-Backbone interact. energy: -0.008 local terms energy: -30.508316 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -0.853 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: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -39.426975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.426975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.426975 (E_RNA) where: Base-Base interactions energy: -15.260 where: short stacking energy: -15.137 Base-Backbone interact. energy: -0.007 local terms energy: -24.160174 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -2.353 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: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -40.227431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.227431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.227431 (E_RNA) where: Base-Base interactions energy: -12.117 where: short stacking energy: -12.117 Base-Backbone interact. energy: -0.004 local terms energy: -28.106314 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.324 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -1.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -43.555426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.555426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.555426 (E_RNA) where: Base-Base interactions energy: -16.567 where: short stacking energy: -15.773 Base-Backbone interact. energy: -0.075 local terms energy: -26.913955 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -0.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -63.196719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.196719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.196719 (E_RNA) where: Base-Base interactions energy: -26.719 where: short stacking energy: -26.719 Base-Backbone interact. energy: -0.009 local terms energy: -36.468172 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -59.401109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.401109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.401109 (E_RNA) where: Base-Base interactions energy: -25.535 where: short stacking energy: -21.702 Base-Backbone interact. energy: -0.025 local terms energy: -33.841723 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -5.845 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: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -61.107516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.107516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.107516 (E_RNA) where: Base-Base interactions energy: -28.410 where: short stacking energy: -28.410 Base-Backbone interact. energy: -0.000 local terms energy: -32.697052 where: bonds (distance) C4'-P energy: -5.861 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -7.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -55.823248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.823248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.823248 (E_RNA) where: Base-Base interactions energy: -17.991 where: short stacking energy: -17.991 Base-Backbone interact. energy: -0.000 local terms energy: -37.831488 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.893 flat angles P-C4'-P energy: -5.607 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: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -50.965203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.965203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.965203 (E_RNA) where: Base-Base interactions energy: -18.349 where: short stacking energy: -17.520 Base-Backbone interact. energy: -0.005 local terms energy: -32.611199 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -4.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -48.642700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.642700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.642700 (E_RNA) where: Base-Base interactions energy: -18.524 where: short stacking energy: -18.389 Base-Backbone interact. energy: -0.008 local terms energy: -30.110762 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -5.398 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: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -51.651058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.651058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.651058 (E_RNA) where: Base-Base interactions energy: -23.869 where: short stacking energy: -23.869 Base-Backbone interact. energy: -0.006 local terms energy: -27.775773 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -7.205 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -53.102115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.102115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.102115 (E_RNA) where: Base-Base interactions energy: -23.320 where: short stacking energy: -20.853 Base-Backbone interact. energy: -0.320 local terms energy: -29.462935 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -44.798147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.798147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.798147 (E_RNA) where: Base-Base interactions energy: -17.714 where: short stacking energy: -17.714 Base-Backbone interact. energy: -0.029 local terms energy: -27.055416 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: 0.890 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: 2 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -39.400216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.400216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.400216 (E_RNA) where: Base-Base interactions energy: -12.679 where: short stacking energy: -12.679 Base-Backbone interact. energy: -0.010 local terms energy: -26.711163 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -1.216 flat angles P-C4'-P energy: -2.004 tors. eta vs tors. theta energy: -8.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -56.619506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.619506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.619506 (E_RNA) where: Base-Base interactions energy: -25.451 where: short stacking energy: -18.620 Base-Backbone interact. energy: -0.134 local terms energy: -31.034262 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -9.152 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -0.924 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: 7 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -73.205012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.205012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.205012 (E_RNA) where: Base-Base interactions energy: -34.929 where: short stacking energy: -34.929 Base-Backbone interact. energy: -0.000 local terms energy: -38.276300 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -4.334 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: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -79.736552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.736552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.736552 (E_RNA) where: Base-Base interactions energy: -48.877 where: short stacking energy: -25.899 Base-Backbone interact. energy: 0.688 local terms energy: -31.547896 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -4.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -50.474827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.474827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.474827 (E_RNA) where: Base-Base interactions energy: -22.985 where: short stacking energy: -22.985 Base-Backbone interact. energy: -0.017 local terms energy: -27.473414 where: bonds (distance) C4'-P energy: -7.239 bonds (distance) P-C4' energy: -6.373 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -60.703193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.703193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.703193 (E_RNA) where: Base-Base interactions energy: -29.019 where: short stacking energy: -21.320 Base-Backbone interact. energy: -0.001 local terms energy: -31.683757 where: bonds (distance) C4'-P energy: -7.459 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -47.263777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.263777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.263777 (E_RNA) where: Base-Base interactions energy: -22.932 where: short stacking energy: -18.956 Base-Backbone interact. energy: -0.081 local terms energy: -24.250825 where: bonds (distance) C4'-P energy: -2.965 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -1.646 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: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -66.626931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.626931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.626931 (E_RNA) where: Base-Base interactions energy: -36.327 where: short stacking energy: -22.615 Base-Backbone interact. energy: -0.002 local terms energy: -30.297617 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -7.038 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -5.548 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: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -46.623158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.623158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.623158 (E_RNA) where: Base-Base interactions energy: -17.153 where: short stacking energy: -17.153 Base-Backbone interact. energy: -0.036 local terms energy: -29.433800 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -38.374608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.374608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.374608 (E_RNA) where: Base-Base interactions energy: -16.229 where: short stacking energy: -16.229 Base-Backbone interact. energy: -0.138 local terms energy: -22.008049 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: 0.688 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -36.751677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.751677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.751677 (E_RNA) where: Base-Base interactions energy: -13.920 where: short stacking energy: -13.920 Base-Backbone interact. energy: -0.007 local terms energy: -22.824799 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -0.096 tors. eta vs tors. theta energy: -0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -67.322310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.322310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.322310 (E_RNA) where: Base-Base interactions energy: -35.886 where: short stacking energy: -15.954 Base-Backbone interact. energy: -0.006 local terms energy: -31.430367 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -4.016 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: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -82.421529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.421529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.421529 (E_RNA) where: Base-Base interactions energy: -48.605 where: short stacking energy: -30.143 Base-Backbone interact. energy: -0.005 local terms energy: -33.811826 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -2.012 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: 3, replica: 7 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -72.517462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.517462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.517462 (E_RNA) where: Base-Base interactions energy: -31.774 where: short stacking energy: -31.774 Base-Backbone interact. energy: -0.000 local terms energy: -40.743883 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -6.694 tors. eta vs tors. theta energy: -11.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -62.093679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.093679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.093679 (E_RNA) where: Base-Base interactions energy: -31.013 where: short stacking energy: -15.158 Base-Backbone interact. energy: -0.002 local terms energy: -31.078817 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -3.945 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: 5, replica: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -48.013977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.013977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.013977 (E_RNA) where: Base-Base interactions energy: -14.954 where: short stacking energy: -14.954 Base-Backbone interact. energy: -0.000 local terms energy: -33.059681 where: bonds (distance) C4'-P energy: -4.950 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -6.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -53.454346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.454346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.454346 (E_RNA) where: Base-Base interactions energy: -21.276 where: short stacking energy: -21.276 Base-Backbone interact. energy: -0.133 local terms energy: -32.044880 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -4.575 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: 7, replica: 8 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -50.194067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.194067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.194067 (E_RNA) where: Base-Base interactions energy: -23.844 where: short stacking energy: -15.216 Base-Backbone interact. energy: -0.000 local terms energy: -26.350238 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -4.526 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -40.479610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.479610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.479610 (E_RNA) where: Base-Base interactions energy: -16.542 where: short stacking energy: -16.542 Base-Backbone interact. energy: -0.063 local terms energy: -23.875343 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: 0.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -48.525751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.525751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.525751 (E_RNA) where: Base-Base interactions energy: -20.499 where: short stacking energy: -20.499 Base-Backbone interact. energy: -0.119 local terms energy: -27.907223 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -43.469728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.469728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.469728 (E_RNA) where: Base-Base interactions energy: -17.115 where: short stacking energy: -14.118 Base-Backbone interact. energy: -0.002 local terms energy: -26.353644 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -61.994473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.994473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.994473 (E_RNA) where: Base-Base interactions energy: -26.180 where: short stacking energy: -24.698 Base-Backbone interact. energy: -0.119 local terms energy: -35.695244 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -3.820 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: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -54.920918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.920918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.920918 (E_RNA) where: Base-Base interactions energy: -25.886 where: short stacking energy: -25.886 Base-Backbone interact. energy: -0.000 local terms energy: -29.035246 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -6.780 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: 3, replica: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -52.597773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.597773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.597773 (E_RNA) where: Base-Base interactions energy: -20.534 where: short stacking energy: -19.110 Base-Backbone interact. energy: -0.097 local terms energy: -31.966239 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -55.885498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.885498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.885498 (E_RNA) where: Base-Base interactions energy: -24.065 where: short stacking energy: -24.065 Base-Backbone interact. energy: -0.001 local terms energy: -31.819100 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -5.706 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: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -58.617740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.617740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.617740 (E_RNA) where: Base-Base interactions energy: -26.964 where: short stacking energy: -19.618 Base-Backbone interact. energy: -0.520 local terms energy: -31.134285 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -55.238825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.238825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.238825 (E_RNA) where: Base-Base interactions energy: -20.097 where: short stacking energy: -19.556 Base-Backbone interact. energy: -0.028 local terms energy: -35.114122 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -7.351 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: 68 Temperature: 1.200000 Total energy: -44.517781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.517781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.517781 (E_RNA) where: Base-Base interactions energy: -18.814 where: short stacking energy: -18.814 Base-Backbone interact. energy: 1.058 local terms energy: -26.761816 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -1.172 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: 68 Temperature: 1.250000 Total energy: -46.185975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.185975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.185975 (E_RNA) where: Base-Base interactions energy: -17.984 where: short stacking energy: -14.181 Base-Backbone interact. energy: -0.068 local terms energy: -28.134412 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -2.429 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: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -46.851123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.851123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.851123 (E_RNA) where: Base-Base interactions energy: -15.562 where: short stacking energy: -15.562 Base-Backbone interact. energy: -0.098 local terms energy: -31.190488 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -39.009441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.009441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.009441 (E_RNA) where: Base-Base interactions energy: -15.283 where: short stacking energy: -10.164 Base-Backbone interact. energy: -0.101 local terms energy: -23.625129 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -3.170 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -71.110222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.110222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.110222 (E_RNA) where: Base-Base interactions energy: -38.019 where: short stacking energy: -27.426 Base-Backbone interact. energy: -0.040 local terms energy: -33.051417 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -3.706 flat angles C4'-P-C4' energy: -9.070 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -6.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -58.464616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.464616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.464616 (E_RNA) where: Base-Base interactions energy: -25.533 where: short stacking energy: -21.618 Base-Backbone interact. energy: -0.382 local terms energy: -32.549694 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -53.219285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.219285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.219285 (E_RNA) where: Base-Base interactions energy: -24.707 where: short stacking energy: -20.388 Base-Backbone interact. energy: -0.023 local terms energy: -28.489079 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -62.679318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.679318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.679318 (E_RNA) where: Base-Base interactions energy: -29.647 where: short stacking energy: -21.227 Base-Backbone interact. energy: -0.001 local terms energy: -33.030943 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -4.120 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: 5, replica: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -60.316210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.316210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.316210 (E_RNA) where: Base-Base interactions energy: -27.133 where: short stacking energy: -27.133 Base-Backbone interact. energy: -0.000 local terms energy: -33.183253 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -7.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -50.339975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.339975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.339975 (E_RNA) where: Base-Base interactions energy: -21.861 where: short stacking energy: -21.861 Base-Backbone interact. energy: -0.016 local terms energy: -28.463401 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -3.563 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: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -46.806788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.806788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.806788 (E_RNA) where: Base-Base interactions energy: -16.811 where: short stacking energy: -13.448 Base-Backbone interact. energy: -0.118 local terms energy: -29.877093 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -50.748406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.748406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.748406 (E_RNA) where: Base-Base interactions energy: -23.503 where: short stacking energy: -18.394 Base-Backbone interact. energy: -0.211 local terms energy: -27.033844 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -47.512807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.512807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.512807 (E_RNA) where: Base-Base interactions energy: -18.705 where: short stacking energy: -18.705 Base-Backbone interact. energy: -0.100 local terms energy: -28.708004 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -45.670963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.670963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.670963 (E_RNA) where: Base-Base interactions energy: -15.780 where: short stacking energy: -15.780 Base-Backbone interact. energy: -0.003 local terms energy: -29.887056 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -70.116848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.116848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.116848 (E_RNA) where: Base-Base interactions energy: -33.707 where: short stacking energy: -20.166 Base-Backbone interact. energy: -0.051 local terms energy: -36.359122 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -9.075 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -64.427029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.427029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.427029 (E_RNA) where: Base-Base interactions energy: -28.689 where: short stacking energy: -28.689 Base-Backbone interact. energy: -0.000 local terms energy: -35.738050 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -7.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -67.463587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.463587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.463587 (E_RNA) where: Base-Base interactions energy: -31.233 where: short stacking energy: -29.499 Base-Backbone interact. energy: -0.199 local terms energy: -36.031688 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -5.969 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: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -52.110326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.110326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.110326 (E_RNA) where: Base-Base interactions energy: -19.748 where: short stacking energy: -19.748 Base-Backbone interact. energy: -0.059 local terms energy: -32.303165 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.786 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -62.285317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.285317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.285317 (E_RNA) where: Base-Base interactions energy: -29.874 where: short stacking energy: -29.845 Base-Backbone interact. energy: -0.000 local terms energy: -32.411032 where: bonds (distance) C4'-P energy: -5.158 bonds (distance) P-C4' energy: -8.519 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -7.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -45.680156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.680156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.680156 (E_RNA) where: Base-Base interactions energy: -17.804 where: short stacking energy: -17.804 Base-Backbone interact. energy: -0.008 local terms energy: -27.867312 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -46.286398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.286398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.286398 (E_RNA) where: Base-Base interactions energy: -18.564 where: short stacking energy: -14.665 Base-Backbone interact. energy: 0.847 local terms energy: -28.569529 where: bonds (distance) C4'-P energy: -7.248 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -47.046219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.046219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.046219 (E_RNA) where: Base-Base interactions energy: -15.967 where: short stacking energy: -15.580 Base-Backbone interact. energy: -0.004 local terms energy: -31.075916 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -7.070 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: 70 Temperature: 1.300000 Total energy: -45.034249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.034249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.034249 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -13.789 Base-Backbone interact. energy: -0.016 local terms energy: -26.771351 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.038 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -2.046 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: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -44.056456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.056456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.056456 (E_RNA) where: Base-Base interactions energy: -15.205 where: short stacking energy: -15.205 Base-Backbone interact. energy: -0.004 local terms energy: -28.847855 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -75.229967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.229967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.229967 (E_RNA) where: Base-Base interactions energy: -35.756 where: short stacking energy: -24.580 Base-Backbone interact. energy: -0.006 local terms energy: -39.467853 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -69.028706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.028706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.028706 (E_RNA) where: Base-Base interactions energy: -32.811 where: short stacking energy: -23.521 Base-Backbone interact. energy: -0.148 local terms energy: -36.070150 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -9.143 flat angles P-C4'-P energy: -4.770 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: 3, replica: 10 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -57.203782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.203782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.203782 (E_RNA) where: Base-Base interactions energy: -26.234 where: short stacking energy: -26.234 Base-Backbone interact. energy: -0.024 local terms energy: -30.945403 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -4.750 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -5.125 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: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -57.648957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.648957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.648957 (E_RNA) where: Base-Base interactions energy: -25.273 where: short stacking energy: -24.604 Base-Backbone interact. energy: -0.000 local terms energy: -32.375529 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -6.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -49.955456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.955456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.955456 (E_RNA) where: Base-Base interactions energy: -19.519 where: short stacking energy: -16.348 Base-Backbone interact. energy: -0.111 local terms energy: -30.326286 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -7.288 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: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -53.864943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.864943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.864943 (E_RNA) where: Base-Base interactions energy: -20.798 where: short stacking energy: -20.798 Base-Backbone interact. energy: -0.000 local terms energy: -33.066725 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -6.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -48.752621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.752621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.752621 (E_RNA) where: Base-Base interactions energy: -18.317 where: short stacking energy: -18.317 Base-Backbone interact. energy: -0.035 local terms energy: -30.400800 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -46.427433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.427433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.427433 (E_RNA) where: Base-Base interactions energy: -19.083 where: short stacking energy: -11.540 Base-Backbone interact. energy: -1.053 local terms energy: -26.291385 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -5.780 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: 9, replica: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -45.362084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.362084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.362084 (E_RNA) where: Base-Base interactions energy: -19.302 where: short stacking energy: -17.652 Base-Backbone interact. energy: -0.000 local terms energy: -26.059527 where: bonds (distance) C4'-P energy: -4.345 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -0.352 tors. eta vs tors. theta energy: -6.535 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: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -39.417295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.417295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.417295 (E_RNA) where: Base-Base interactions energy: -20.154 where: short stacking energy: -8.992 Base-Backbone interact. energy: -0.251 local terms energy: -19.012920 where: bonds (distance) C4'-P energy: -4.997 bonds (distance) P-C4' energy: -3.526 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -4.647 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: 1, replica: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -78.543551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.543551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.543551 (E_RNA) where: Base-Base interactions energy: -41.170 where: short stacking energy: -24.632 Base-Backbone interact. energy: -0.000 local terms energy: -37.372904 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -7.362 tors. eta vs tors. theta energy: -7.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -63.101473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.101473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.101473 (E_RNA) where: Base-Base interactions energy: -28.111 where: short stacking energy: -28.109 Base-Backbone interact. energy: -0.002 local terms energy: -34.988257 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -7.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -51.221310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.221310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.221310 (E_RNA) where: Base-Base interactions energy: -20.056 where: short stacking energy: -20.056 Base-Backbone interact. energy: -0.005 local terms energy: -31.161170 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -64.821110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.821110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.821110 (E_RNA) where: Base-Base interactions energy: -38.416 where: short stacking energy: -28.324 Base-Backbone interact. energy: -0.000 local terms energy: -26.404484 where: bonds (distance) C4'-P energy: -4.037 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -1.931 tors. eta vs tors. theta energy: -4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -51.002052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.002052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.002052 (E_RNA) where: Base-Base interactions energy: -23.390 where: short stacking energy: -15.982 Base-Backbone interact. energy: 0.103 local terms energy: -27.715539 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -3.797 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: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -55.066170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.066170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.066170 (E_RNA) where: Base-Base interactions energy: -21.744 where: short stacking energy: -18.932 Base-Backbone interact. energy: -0.045 local terms energy: -33.276776 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -60.645393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.645393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.645393 (E_RNA) where: Base-Base interactions energy: -33.321 where: short stacking energy: -25.070 Base-Backbone interact. energy: 3.212 local terms energy: -30.536738 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -45.905327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.905327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.905327 (E_RNA) where: Base-Base interactions energy: -16.410 where: short stacking energy: -16.410 Base-Backbone interact. energy: -0.071 local terms energy: -29.423658 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -41.796252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.796252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.796252 (E_RNA) where: Base-Base interactions energy: -12.768 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.386 local terms energy: -28.641487 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: 0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -41.491835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.491835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.491835 (E_RNA) where: Base-Base interactions energy: -14.424 where: short stacking energy: -14.424 Base-Backbone interact. energy: -0.049 local terms energy: -27.019223 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -1.749 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -72.315568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.315568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.315568 (E_RNA) where: Base-Base interactions energy: -35.531 where: short stacking energy: -32.812 Base-Backbone interact. energy: -0.000 local terms energy: -36.784149 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -9.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -65.826724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.826724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.826724 (E_RNA) where: Base-Base interactions energy: -32.798 where: short stacking energy: -25.659 Base-Backbone interact. energy: 0.493 local terms energy: -33.521080 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -4.570 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: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -53.401431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.401431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.401431 (E_RNA) where: Base-Base interactions energy: -22.620 where: short stacking energy: -22.620 Base-Backbone interact. energy: -0.001 local terms energy: -30.780944 where: bonds (distance) C4'-P energy: -7.391 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -60.494579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.494579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.494579 (E_RNA) where: Base-Base interactions energy: -27.819 where: short stacking energy: -27.819 Base-Backbone interact. energy: -0.003 local terms energy: -32.672567 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -7.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -54.182994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.182994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.182994 (E_RNA) where: Base-Base interactions energy: -20.796 where: short stacking energy: -20.796 Base-Backbone interact. energy: -0.009 local terms energy: -33.378015 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -53.270348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.270348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.270348 (E_RNA) where: Base-Base interactions energy: -27.227 where: short stacking energy: -23.741 Base-Backbone interact. energy: -0.000 local terms energy: -26.043155 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -1.635 flat angles P-C4'-P energy: -1.601 tors. eta vs tors. theta energy: -8.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -51.164919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.164919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.164919 (E_RNA) where: Base-Base interactions energy: -23.662 where: short stacking energy: -20.877 Base-Backbone interact. energy: -0.504 local terms energy: -26.999035 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -44.607667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.607667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.607667 (E_RNA) where: Base-Base interactions energy: -15.975 where: short stacking energy: -15.975 Base-Backbone interact. energy: 0.353 local terms energy: -28.984915 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -45.899911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.899911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.899911 (E_RNA) where: Base-Base interactions energy: -21.813 where: short stacking energy: -21.813 Base-Backbone interact. energy: -0.007 local terms energy: -24.080886 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -6.503 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -3.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -44.018157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.018157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.018157 (E_RNA) where: Base-Base interactions energy: -13.528 where: short stacking energy: -13.528 Base-Backbone interact. energy: -0.000 local terms energy: -30.489773 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -5.833 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: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -74.803483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.803483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.803483 (E_RNA) where: Base-Base interactions energy: -34.103 where: short stacking energy: -31.269 Base-Backbone interact. energy: -0.001 local terms energy: -40.699359 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -10.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -62.849549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.849549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.849549 (E_RNA) where: Base-Base interactions energy: -30.388 where: short stacking energy: -30.388 Base-Backbone interact. energy: -0.000 local terms energy: -32.461864 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -9.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -51.622263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.622263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.622263 (E_RNA) where: Base-Base interactions energy: -20.191 where: short stacking energy: -20.092 Base-Backbone interact. energy: -0.034 local terms energy: -31.397582 where: bonds (distance) C4'-P energy: -7.708 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -4.639 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: 4, replica: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -48.439217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.439217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.439217 (E_RNA) where: Base-Base interactions energy: -18.349 where: short stacking energy: -18.349 Base-Backbone interact. energy: -0.024 local terms energy: -30.066345 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -8.104 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -4.763 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: 5, replica: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -50.774881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.774881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.774881 (E_RNA) where: Base-Base interactions energy: -21.683 where: short stacking energy: -21.683 Base-Backbone interact. energy: -0.071 local terms energy: -29.021204 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -3.788 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: 6, replica: 3 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -54.649581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.649581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.649581 (E_RNA) where: Base-Base interactions energy: -26.092 where: short stacking energy: -18.866 Base-Backbone interact. energy: -0.012 local terms energy: -28.546026 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -1.579 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: 8 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -47.429884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.429884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.429884 (E_RNA) where: Base-Base interactions energy: -21.282 where: short stacking energy: -14.589 Base-Backbone interact. energy: -0.427 local terms energy: -25.720748 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -0.821 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: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -41.285509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.285509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.285509 (E_RNA) where: Base-Base interactions energy: -19.908 where: short stacking energy: -19.908 Base-Backbone interact. energy: -0.018 local terms energy: -21.358634 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: 0.064 tors. eta vs tors. theta energy: -1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -46.397612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.397612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.397612 (E_RNA) where: Base-Base interactions energy: -16.265 where: short stacking energy: -7.968 Base-Backbone interact. energy: -0.071 local terms energy: -30.062160 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -5.728 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: 10, replica: 7 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -41.952929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.952929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.952929 (E_RNA) where: Base-Base interactions energy: -21.459 where: short stacking energy: -12.009 Base-Backbone interact. energy: -0.053 local terms energy: -20.440468 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: 2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -76.962956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.962956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.962956 (E_RNA) where: Base-Base interactions energy: -35.726 where: short stacking energy: -29.704 Base-Backbone interact. energy: -0.000 local terms energy: -41.236981 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -10.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -57.497626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.497626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.497626 (E_RNA) where: Base-Base interactions energy: -23.573 where: short stacking energy: -23.573 Base-Backbone interact. energy: -0.006 local terms energy: -33.918905 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -8.860 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -63.607930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.607930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.607930 (E_RNA) where: Base-Base interactions energy: -28.647 where: short stacking energy: -28.647 Base-Backbone interact. energy: -0.000 local terms energy: -34.960260 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -6.512 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -3.742 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: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -52.580270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.580270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.580270 (E_RNA) where: Base-Base interactions energy: -18.911 where: short stacking energy: -18.911 Base-Backbone interact. energy: -0.022 local terms energy: -33.647352 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -53.413563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.413563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.413563 (E_RNA) where: Base-Base interactions energy: -25.112 where: short stacking energy: -25.112 Base-Backbone interact. energy: -0.075 local terms energy: -28.226367 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -4.514 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: 6, replica: 3 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -47.871125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.871125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.871125 (E_RNA) where: Base-Base interactions energy: -16.132 where: short stacking energy: -16.132 Base-Backbone interact. energy: -0.015 local terms energy: -31.724594 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -51.107394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.107394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.107394 (E_RNA) where: Base-Base interactions energy: -24.996 where: short stacking energy: -24.996 Base-Backbone interact. energy: -0.241 local terms energy: -25.870066 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -43.537015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.537015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.537015 (E_RNA) where: Base-Base interactions energy: -13.984 where: short stacking energy: -13.984 Base-Backbone interact. energy: -0.032 local terms energy: -29.521485 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -5.434 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: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -44.639658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.639658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.639658 (E_RNA) where: Base-Base interactions energy: -19.310 where: short stacking energy: -19.310 Base-Backbone interact. energy: -0.000 local terms energy: -25.329127 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -2.548 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: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -43.312341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.312341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.312341 (E_RNA) where: Base-Base interactions energy: -14.644 where: short stacking energy: -14.644 Base-Backbone interact. energy: -0.000 local terms energy: -28.667865 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -78.800529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.800529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.800529 (E_RNA) where: Base-Base interactions energy: -40.206 where: short stacking energy: -26.285 Base-Backbone interact. energy: -0.000 local terms energy: -38.594322 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -7.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -62.652413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.652413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.652413 (E_RNA) where: Base-Base interactions energy: -27.364 where: short stacking energy: -27.364 Base-Backbone interact. energy: -0.000 local terms energy: -35.288240 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -9.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -61.674072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.674072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.674072 (E_RNA) where: Base-Base interactions energy: -29.270 where: short stacking energy: -21.337 Base-Backbone interact. energy: -0.010 local terms energy: -32.393735 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -4.945 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: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -66.568001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.568001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.568001 (E_RNA) where: Base-Base interactions energy: -25.790 where: short stacking energy: -25.790 Base-Backbone interact. energy: -0.000 local terms energy: -40.777729 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.078 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: -8.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -51.464461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.464461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.464461 (E_RNA) where: Base-Base interactions energy: -22.939 where: short stacking energy: -22.939 Base-Backbone interact. energy: -0.033 local terms energy: -28.492539 where: bonds (distance) C4'-P energy: -4.304 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -47.939155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.939155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.939155 (E_RNA) where: Base-Base interactions energy: -16.887 where: short stacking energy: -16.887 Base-Backbone interact. energy: -0.000 local terms energy: -31.051671 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -43.285369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.285369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.285369 (E_RNA) where: Base-Base interactions energy: -15.561 where: short stacking energy: -15.561 Base-Backbone interact. energy: -0.013 local terms energy: -27.710903 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -44.652367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.652367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.652367 (E_RNA) where: Base-Base interactions energy: -14.993 where: short stacking energy: -14.993 Base-Backbone interact. energy: -0.075 local terms energy: -29.584304 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.923 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -48.666121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.666121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.666121 (E_RNA) where: Base-Base interactions energy: -26.883 where: short stacking energy: -6.114 Base-Backbone interact. energy: 0.181 local terms energy: -21.964343 where: bonds (distance) C4'-P energy: -3.550 bonds (distance) P-C4' energy: -5.894 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -39.831671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.831671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.831671 (E_RNA) where: Base-Base interactions energy: -14.727 where: short stacking energy: -14.727 Base-Backbone interact. energy: -0.042 local terms energy: -25.062712 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.033 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -72.836901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.836901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.836901 (E_RNA) where: Base-Base interactions energy: -30.644 where: short stacking energy: -30.186 Base-Backbone interact. energy: -0.000 local terms energy: -42.192973 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: -10.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -56.326271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.326271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.326271 (E_RNA) where: Base-Base interactions energy: -25.103 where: short stacking energy: -25.103 Base-Backbone interact. energy: -0.001 local terms energy: -31.222584 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -1.579 tors. eta vs tors. theta energy: -5.590 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: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -59.125607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.125607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.125607 (E_RNA) where: Base-Base interactions energy: -23.393 where: short stacking energy: -23.393 Base-Backbone interact. energy: -0.124 local terms energy: -35.609335 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -8.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -59.674047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.674047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.674047 (E_RNA) where: Base-Base interactions energy: -23.990 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.025 local terms energy: -35.659160 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -5.421 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: 77 Temperature: 1.100000 Total energy: -51.825033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.825033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.825033 (E_RNA) where: Base-Base interactions energy: -23.154 where: short stacking energy: -12.277 Base-Backbone interact. energy: -0.000 local terms energy: -28.670682 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -46.626988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.626988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.626988 (E_RNA) where: Base-Base interactions energy: -20.112 where: short stacking energy: -20.112 Base-Backbone interact. energy: -0.029 local terms energy: -26.485146 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -48.818541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.818541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.818541 (E_RNA) where: Base-Base interactions energy: -21.110 where: short stacking energy: -21.110 Base-Backbone interact. energy: -0.003 local terms energy: -27.705503 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -1.468 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: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -52.126009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.126009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.126009 (E_RNA) where: Base-Base interactions energy: -20.929 where: short stacking energy: -16.465 Base-Backbone interact. energy: -0.869 local terms energy: -30.327989 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -6.805 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -39.767081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.767081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.767081 (E_RNA) where: Base-Base interactions energy: -13.099 where: short stacking energy: -13.099 Base-Backbone interact. energy: -0.008 local terms energy: -26.660081 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -0.561 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -39.419668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.419668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.419668 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.235 local terms energy: -24.970107 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -71.658793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.658793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.658793 (E_RNA) where: Base-Base interactions energy: -40.897 where: short stacking energy: -25.338 Base-Backbone interact. energy: -0.689 local terms energy: -30.073066 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -9.108 flat angles P-C4'-P energy: -3.052 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: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -58.877342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.877342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.877342 (E_RNA) where: Base-Base interactions energy: -25.813 where: short stacking energy: -25.813 Base-Backbone interact. energy: -0.000 local terms energy: -33.064368 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -4.869 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: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -57.537386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.537386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.537386 (E_RNA) where: Base-Base interactions energy: -31.617 where: short stacking energy: -23.350 Base-Backbone interact. energy: -0.004 local terms energy: -25.916149 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.313 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -2.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -58.804179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.804179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.804179 (E_RNA) where: Base-Base interactions energy: -24.018 where: short stacking energy: -22.633 Base-Backbone interact. energy: -0.253 local terms energy: -34.533055 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -7.473 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -5.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -51.078919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.078919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.078919 (E_RNA) where: Base-Base interactions energy: -20.336 where: short stacking energy: -17.470 Base-Backbone interact. energy: -0.642 local terms energy: -30.100757 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -55.770083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.770083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.770083 (E_RNA) where: Base-Base interactions energy: -23.263 where: short stacking energy: -17.845 Base-Backbone interact. energy: -0.030 local terms energy: -32.476320 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -47.510775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.510775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.510775 (E_RNA) where: Base-Base interactions energy: -23.835 where: short stacking energy: -4.587 Base-Backbone interact. energy: 0.705 local terms energy: -24.381035 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -3.867 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: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -42.115754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.115754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.115754 (E_RNA) where: Base-Base interactions energy: -19.707 where: short stacking energy: -10.872 Base-Backbone interact. energy: -0.342 local terms energy: -22.066276 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -4.433 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: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -47.775576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.775576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.775576 (E_RNA) where: Base-Base interactions energy: -21.674 where: short stacking energy: -17.753 Base-Backbone interact. energy: 1.358 local terms energy: -27.459650 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -44.980016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.980016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.980016 (E_RNA) where: Base-Base interactions energy: -13.307 where: short stacking energy: -13.307 Base-Backbone interact. energy: -0.000 local terms energy: -31.672680 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -3.404 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: 79 Temperature: 0.900000 Total energy: -73.510573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.510573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.510573 (E_RNA) where: Base-Base interactions energy: -42.356 where: short stacking energy: -27.141 Base-Backbone interact. energy: -0.000 local terms energy: -31.154098 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -3.638 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: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -58.117966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.117966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.117966 (E_RNA) where: Base-Base interactions energy: -28.659 where: short stacking energy: -12.960 Base-Backbone interact. energy: -0.020 local terms energy: -29.438590 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -55.074671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.074671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.074671 (E_RNA) where: Base-Base interactions energy: -24.921 where: short stacking energy: -17.468 Base-Backbone interact. energy: -0.000 local terms energy: -30.153325 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -5.422 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: 4, replica: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -54.477712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.477712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.477712 (E_RNA) where: Base-Base interactions energy: -22.368 where: short stacking energy: -13.452 Base-Backbone interact. energy: -0.003 local terms energy: -32.106586 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -9.151 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -3.383 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: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -47.853039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.853039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.853039 (E_RNA) where: Base-Base interactions energy: -16.138 where: short stacking energy: -16.138 Base-Backbone interact. energy: -0.001 local terms energy: -31.714437 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -6.143 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: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -46.834022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.834022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.834022 (E_RNA) where: Base-Base interactions energy: -21.019 where: short stacking energy: -18.724 Base-Backbone interact. energy: -0.025 local terms energy: -25.790358 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -6.087 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -44.675187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.675187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.675187 (E_RNA) where: Base-Base interactions energy: -14.499 where: short stacking energy: -14.424 Base-Backbone interact. energy: 0.119 local terms energy: -30.294735 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -6.257 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: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -41.772232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.772232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.772232 (E_RNA) where: Base-Base interactions energy: -14.739 where: short stacking energy: -9.546 Base-Backbone interact. energy: 0.215 local terms energy: -27.248562 where: bonds (distance) C4'-P energy: -8.399 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: 0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -38.899124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.899124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.899124 (E_RNA) where: Base-Base interactions energy: -15.673 where: short stacking energy: -12.913 Base-Backbone interact. energy: -0.002 local terms energy: -23.223871 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -41.121435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.121435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.121435 (E_RNA) where: Base-Base interactions energy: -17.230 where: short stacking energy: -17.230 Base-Backbone interact. energy: -0.051 local terms energy: -23.841304 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -3.911 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -2.689 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: 80 Temperature: 0.900000 Total energy: -77.480873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.480873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.480873 (E_RNA) where: Base-Base interactions energy: -36.410 where: short stacking energy: -36.410 Base-Backbone interact. energy: -0.000 local terms energy: -41.070835 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.866 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -10.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -72.416321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.416321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.416321 (E_RNA) where: Base-Base interactions energy: -39.094 where: short stacking energy: -23.852 Base-Backbone interact. energy: -0.073 local terms energy: -33.249976 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -8.294 flat angles C4'-P-C4' energy: -8.419 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -62.992493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.992493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.992493 (E_RNA) where: Base-Base interactions energy: -25.690 where: short stacking energy: -25.690 Base-Backbone interact. energy: -0.000 local terms energy: -37.302009 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -9.211 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -7.272 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: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -63.050320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.050320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.050320 (E_RNA) where: Base-Base interactions energy: -27.952 where: short stacking energy: -27.952 Base-Backbone interact. energy: -0.000 local terms energy: -35.098711 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -9.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -53.467905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.467905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.467905 (E_RNA) where: Base-Base interactions energy: -23.676 where: short stacking energy: -23.676 Base-Backbone interact. energy: -0.029 local terms energy: -29.763143 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -6.720 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -46.998018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.998018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.998018 (E_RNA) where: Base-Base interactions energy: -16.685 where: short stacking energy: -16.685 Base-Backbone interact. energy: -0.003 local terms energy: -30.310475 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -5.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -52.289939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.289939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.289939 (E_RNA) where: Base-Base interactions energy: -22.489 where: short stacking energy: -19.392 Base-Backbone interact. energy: -0.055 local terms energy: -29.745665 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -46.748293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.748293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.748293 (E_RNA) where: Base-Base interactions energy: -15.044 where: short stacking energy: -15.044 Base-Backbone interact. energy: -0.037 local terms energy: -31.667446 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -4.110 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: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -43.005047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.005047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.005047 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -12.630 Base-Backbone interact. energy: -0.007 local terms energy: -29.280206 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -3.031 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: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -39.585817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.585817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.585817 (E_RNA) where: Base-Base interactions energy: -19.561 where: short stacking energy: -18.437 Base-Backbone interact. energy: -0.006 local terms energy: -20.018510 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -2.867 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -58.448998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.448998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.448998 (E_RNA) where: Base-Base interactions energy: -21.150 where: short stacking energy: -21.150 Base-Backbone interact. energy: -0.001 local terms energy: -37.298231 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -65.872935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.872935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.872935 (E_RNA) where: Base-Base interactions energy: -36.843 where: short stacking energy: -23.015 Base-Backbone interact. energy: 0.088 local terms energy: -29.118417 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -4.848 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -4.360 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: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -50.783670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.783670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.783670 (E_RNA) where: Base-Base interactions energy: -20.167 where: short stacking energy: -20.167 Base-Backbone interact. energy: -0.003 local terms energy: -30.613905 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -58.079964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.079964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.079964 (E_RNA) where: Base-Base interactions energy: -24.158 where: short stacking energy: -24.158 Base-Backbone interact. energy: -0.001 local terms energy: -33.921277 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.805 flat angles C4'-P-C4' energy: -8.755 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -7.154 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: 5, replica: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -51.940055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.940055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.940055 (E_RNA) where: Base-Base interactions energy: -29.516 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.882 local terms energy: -21.542698 where: bonds (distance) C4'-P energy: -2.012 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -45.424466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.424466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.424466 (E_RNA) where: Base-Base interactions energy: -15.408 where: short stacking energy: -15.408 Base-Backbone interact. energy: -0.001 local terms energy: -30.015299 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.826 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -4.349 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: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -49.245863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.245863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.245863 (E_RNA) where: Base-Base interactions energy: -21.791 where: short stacking energy: -21.791 Base-Backbone interact. energy: -0.411 local terms energy: -27.043062 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -57.152548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.152548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.152548 (E_RNA) where: Base-Base interactions energy: -25.105 where: short stacking energy: -25.105 Base-Backbone interact. energy: -0.000 local terms energy: -32.046940 where: bonds (distance) C4'-P energy: -3.416 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -9.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -44.743520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.743520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.743520 (E_RNA) where: Base-Base interactions energy: -21.114 where: short stacking energy: -18.285 Base-Backbone interact. energy: -0.162 local terms energy: -23.467910 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -6.742 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -40.252633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.252633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.252633 (E_RNA) where: Base-Base interactions energy: -10.340 where: short stacking energy: -10.340 Base-Backbone interact. energy: -0.007 local terms energy: -29.906117 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -81.502796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.502796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.502796 (E_RNA) where: Base-Base interactions energy: -43.574 where: short stacking energy: -24.203 Base-Backbone interact. energy: -0.010 local terms energy: -37.918451 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -6.548 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: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -57.679030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.679030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.679030 (E_RNA) where: Base-Base interactions energy: -27.037 where: short stacking energy: -26.645 Base-Backbone interact. energy: -0.037 local terms energy: -30.605519 where: bonds (distance) C4'-P energy: -6.310 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -4.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -62.010245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.010245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.010245 (E_RNA) where: Base-Base interactions energy: -24.467 where: short stacking energy: -24.467 Base-Backbone interact. energy: -0.008 local terms energy: -37.535039 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -7.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -47.307897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.307897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.307897 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -18.247 Base-Backbone interact. energy: -0.001 local terms energy: -29.059724 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -6.449 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -52.539783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.539783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.539783 (E_RNA) where: Base-Base interactions energy: -22.001 where: short stacking energy: -22.001 Base-Backbone interact. energy: -0.036 local terms energy: -30.502822 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -55.519561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.519561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.519561 (E_RNA) where: Base-Base interactions energy: -25.291 where: short stacking energy: -23.084 Base-Backbone interact. energy: -0.002 local terms energy: -30.225900 where: bonds (distance) C4'-P energy: -5.260 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -4.857 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: 7, replica: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -49.157252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.157252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.157252 (E_RNA) where: Base-Base interactions energy: -19.991 where: short stacking energy: -19.392 Base-Backbone interact. energy: -0.048 local terms energy: -29.117486 where: bonds (distance) C4'-P energy: -4.385 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -40.777168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.777168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.777168 (E_RNA) where: Base-Base interactions energy: -12.420 where: short stacking energy: -12.229 Base-Backbone interact. energy: -0.086 local terms energy: -28.271983 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -44.686641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.686641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.686641 (E_RNA) where: Base-Base interactions energy: -15.405 where: short stacking energy: -15.405 Base-Backbone interact. energy: -0.013 local terms energy: -29.268761 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -33.742728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.742728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.742728 (E_RNA) where: Base-Base interactions energy: -8.347 where: short stacking energy: -6.030 Base-Backbone interact. energy: -1.083 local terms energy: -24.312014 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -4.346 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: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -78.097351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.097351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.097351 (E_RNA) where: Base-Base interactions energy: -45.017 where: short stacking energy: -30.648 Base-Backbone interact. energy: -0.001 local terms energy: -33.078835 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -5.019 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: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -59.071393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.071393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.071393 (E_RNA) where: Base-Base interactions energy: -24.710 where: short stacking energy: -24.018 Base-Backbone interact. energy: -0.378 local terms energy: -33.983256 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -7.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -59.607833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.607833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.607833 (E_RNA) where: Base-Base interactions energy: -25.168 where: short stacking energy: -25.168 Base-Backbone interact. energy: -0.000 local terms energy: -34.439582 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -4.623 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: 4, replica: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -55.785422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.785422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.785422 (E_RNA) where: Base-Base interactions energy: -24.650 where: short stacking energy: -16.794 Base-Backbone interact. energy: -0.010 local terms energy: -31.125647 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -1.753 tors. eta vs tors. theta energy: -6.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -54.068872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.068872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.068872 (E_RNA) where: Base-Base interactions energy: -23.297 where: short stacking energy: -19.357 Base-Backbone interact. energy: -0.101 local terms energy: -30.670350 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -45.398459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.398459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.398459 (E_RNA) where: Base-Base interactions energy: -18.995 where: short stacking energy: -16.960 Base-Backbone interact. energy: -0.001 local terms energy: -26.403130 where: bonds (distance) C4'-P energy: -3.498 bonds (distance) P-C4' energy: -3.908 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -6.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -48.905689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.905689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.905689 (E_RNA) where: Base-Base interactions energy: -17.734 where: short stacking energy: -17.734 Base-Backbone interact. energy: -0.000 local terms energy: -31.171892 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -43.156726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.156726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.156726 (E_RNA) where: Base-Base interactions energy: -14.445 where: short stacking energy: -12.238 Base-Backbone interact. energy: -0.016 local terms energy: -28.695521 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -43.630285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.630285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.630285 (E_RNA) where: Base-Base interactions energy: -17.371 where: short stacking energy: -8.984 Base-Backbone interact. energy: -0.104 local terms energy: -26.155222 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -1.631 tors. eta vs tors. theta energy: -2.231 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: 7 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -47.598315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.598315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.598315 (E_RNA) where: Base-Base interactions energy: -20.920 where: short stacking energy: -11.938 Base-Backbone interact. energy: -0.001 local terms energy: -26.676570 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: 0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -78.676603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.676603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.676603 (E_RNA) where: Base-Base interactions energy: -40.657 where: short stacking energy: -25.170 Base-Backbone interact. energy: -0.000 local terms energy: -38.019878 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -9.269 flat angles P-C4'-P energy: -5.861 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: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -66.032897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.032897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.032897 (E_RNA) where: Base-Base interactions energy: -39.836 where: short stacking energy: -24.314 Base-Backbone interact. energy: -0.001 local terms energy: -26.196462 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -5.449 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: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -71.832644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.832644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.832644 (E_RNA) where: Base-Base interactions energy: -38.376 where: short stacking energy: -30.147 Base-Backbone interact. energy: -0.000 local terms energy: -33.456113 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -8.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -54.991222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.991222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.991222 (E_RNA) where: Base-Base interactions energy: -27.066 where: short stacking energy: -21.924 Base-Backbone interact. energy: -0.599 local terms energy: -27.325779 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -0.521 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: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -44.789944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.789944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.789944 (E_RNA) where: Base-Base interactions energy: -13.634 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.003 local terms energy: -31.153373 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -50.236689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.236689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.236689 (E_RNA) where: Base-Base interactions energy: -20.385 where: short stacking energy: -20.385 Base-Backbone interact. energy: 0.001 local terms energy: -29.852826 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -41.924906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.924906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.924906 (E_RNA) where: Base-Base interactions energy: -15.022 where: short stacking energy: -5.937 Base-Backbone interact. energy: -0.307 local terms energy: -26.596641 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -7.786 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -6.706 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: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -41.658404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.658404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.658404 (E_RNA) where: Base-Base interactions energy: -16.829 where: short stacking energy: -16.829 Base-Backbone interact. energy: -0.001 local terms energy: -24.828977 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: 0.273 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: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -47.798964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.798964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.798964 (E_RNA) where: Base-Base interactions energy: -23.479 where: short stacking energy: -18.913 Base-Backbone interact. energy: -0.008 local terms energy: -24.311982 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: 1.439 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: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -41.730352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.730352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.730352 (E_RNA) where: Base-Base interactions energy: -13.675 where: short stacking energy: -13.675 Base-Backbone interact. energy: -0.134 local terms energy: -27.921553 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -79.846719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.846719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.846719 (E_RNA) where: Base-Base interactions energy: -43.097 where: short stacking energy: -29.106 Base-Backbone interact. energy: -0.000 local terms energy: -36.749354 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -5.751 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -6.709 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: 2, replica: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -62.509999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.509999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.509999 (E_RNA) where: Base-Base interactions energy: -29.275 where: short stacking energy: -16.673 Base-Backbone interact. energy: -0.002 local terms energy: -33.232657 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -2.940 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: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -60.607325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.607325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.607325 (E_RNA) where: Base-Base interactions energy: -23.672 where: short stacking energy: -23.244 Base-Backbone interact. energy: -0.087 local terms energy: -36.847849 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -5.249 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: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -50.387078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.387078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.387078 (E_RNA) where: Base-Base interactions energy: -24.538 where: short stacking energy: -24.538 Base-Backbone interact. energy: -0.070 local terms energy: -25.779009 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -2.318 tors. eta vs tors. theta energy: -5.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -55.375302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.375302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.375302 (E_RNA) where: Base-Base interactions energy: -23.303 where: short stacking energy: -23.303 Base-Backbone interact. energy: -0.001 local terms energy: -32.071583 where: bonds (distance) C4'-P energy: -3.929 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -4.428 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: 6, replica: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -48.366857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.366857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.366857 (E_RNA) where: Base-Base interactions energy: -23.433 where: short stacking energy: -16.719 Base-Backbone interact. energy: -0.096 local terms energy: -24.837670 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -49.251514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.251514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.251514 (E_RNA) where: Base-Base interactions energy: -22.913 where: short stacking energy: -16.379 Base-Backbone interact. energy: -0.097 local terms energy: -26.241345 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -5.511 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -2.357 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: 8, replica: 7 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -42.549372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.549372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.549372 (E_RNA) where: Base-Base interactions energy: -20.056 where: short stacking energy: -14.678 Base-Backbone interact. energy: -0.082 local terms energy: -22.411667 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -0.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -49.740420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.740420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.740420 (E_RNA) where: Base-Base interactions energy: -20.657 where: short stacking energy: -18.129 Base-Backbone interact. energy: 0.871 local terms energy: -29.954748 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -7.291 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: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -45.663025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.663025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.663025 (E_RNA) where: Base-Base interactions energy: -18.097 where: short stacking energy: -18.097 Base-Backbone interact. energy: -0.042 local terms energy: -27.524281 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -0.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -69.315509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.315509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.315509 (E_RNA) where: Base-Base interactions energy: -31.571 where: short stacking energy: -31.571 Base-Backbone interact. energy: -0.037 local terms energy: -37.707816 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -6.206 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: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -68.616588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.616588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.616588 (E_RNA) where: Base-Base interactions energy: -33.676 where: short stacking energy: -27.790 Base-Backbone interact. energy: -0.000 local terms energy: -34.940359 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -6.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -61.172107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.172107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.172107 (E_RNA) where: Base-Base interactions energy: -28.463 where: short stacking energy: -28.463 Base-Backbone interact. energy: -0.025 local terms energy: -32.683972 where: bonds (distance) C4'-P energy: -4.834 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -4.412 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: 4, replica: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -53.717500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.717500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.717500 (E_RNA) where: Base-Base interactions energy: -21.176 where: short stacking energy: -15.621 Base-Backbone interact. energy: 0.031 local terms energy: -32.573159 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -6.339 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: 5, replica: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -50.428413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.428413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.428413 (E_RNA) where: Base-Base interactions energy: -16.827 where: short stacking energy: -16.827 Base-Backbone interact. energy: -0.064 local terms energy: -33.536586 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -7.106 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: 6, replica: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -44.574545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.574545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.574545 (E_RNA) where: Base-Base interactions energy: -16.413 where: short stacking energy: -12.865 Base-Backbone interact. energy: -0.613 local terms energy: -27.548733 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -0.067 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: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -42.853186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.853186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.853186 (E_RNA) where: Base-Base interactions energy: -15.317 where: short stacking energy: -15.317 Base-Backbone interact. energy: -0.064 local terms energy: -27.472357 where: bonds (distance) C4'-P energy: -3.519 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -4.720 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: 8, replica: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -48.012918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.012918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.012918 (E_RNA) where: Base-Base interactions energy: -18.841 where: short stacking energy: -13.726 Base-Backbone interact. energy: -0.000 local terms energy: -29.171151 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -43.713678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.713678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.713678 (E_RNA) where: Base-Base interactions energy: -19.650 where: short stacking energy: -19.650 Base-Backbone interact. energy: -0.910 local terms energy: -23.153548 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -4.128 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -42.310067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.310067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.310067 (E_RNA) where: Base-Base interactions energy: -14.546 where: short stacking energy: -14.546 Base-Backbone interact. energy: -0.015 local terms energy: -27.748246 where: bonds (distance) C4'-P energy: -7.633 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -5.059 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: 1, replica: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -71.652016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.652016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.652016 (E_RNA) where: Base-Base interactions energy: -37.246 where: short stacking energy: -24.250 Base-Backbone interact. energy: -0.078 local terms energy: -34.327745 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.896 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -57.354426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.354426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.354426 (E_RNA) where: Base-Base interactions energy: -22.812 where: short stacking energy: -22.812 Base-Backbone interact. energy: -0.002 local terms energy: -34.541082 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -5.768 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: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -56.817847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.817847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.817847 (E_RNA) where: Base-Base interactions energy: -22.389 where: short stacking energy: -22.332 Base-Backbone interact. energy: -0.066 local terms energy: -34.363388 where: bonds (distance) C4'-P energy: -6.445 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -6.633 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: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -59.404721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.404721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.404721 (E_RNA) where: Base-Base interactions energy: -25.406 where: short stacking energy: -25.079 Base-Backbone interact. energy: -0.063 local terms energy: -33.935927 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.436 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -5.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -52.199273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.199273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.199273 (E_RNA) where: Base-Base interactions energy: -21.722 where: short stacking energy: -21.722 Base-Backbone interact. energy: -0.020 local terms energy: -30.457394 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.197 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -3.332 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: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -54.949495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.949495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.949495 (E_RNA) where: Base-Base interactions energy: -25.433 where: short stacking energy: -25.433 Base-Backbone interact. energy: -0.016 local terms energy: -29.499699 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.017 flat angles C4'-P-C4' energy: -9.012 flat angles P-C4'-P energy: 0.499 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -44.963687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.963687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.963687 (E_RNA) where: Base-Base interactions energy: -12.794 where: short stacking energy: -12.794 Base-Backbone interact. energy: -0.000 local terms energy: -32.169244 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -47.953888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.953888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.953888 (E_RNA) where: Base-Base interactions energy: -16.955 where: short stacking energy: -16.955 Base-Backbone interact. energy: -0.000 local terms energy: -30.998982 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -5.100 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: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -43.812979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.812979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.812979 (E_RNA) where: Base-Base interactions energy: -16.977 where: short stacking energy: -13.971 Base-Backbone interact. energy: -0.047 local terms energy: -26.789161 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -2.366 tors. eta vs tors. theta energy: -3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -42.345316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.345316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.345316 (E_RNA) where: Base-Base interactions energy: -11.190 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.000 local terms energy: -31.154922 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -58.315518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.315518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.315518 (E_RNA) where: Base-Base interactions energy: -26.238 where: short stacking energy: -26.238 Base-Backbone interact. energy: -0.000 local terms energy: -32.077849 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -5.402 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: 9 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -62.675253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.675253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.675253 (E_RNA) where: Base-Base interactions energy: -34.947 where: short stacking energy: -21.973 Base-Backbone interact. energy: -0.099 local terms energy: -27.629192 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: 0.933 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -57.764029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.764029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.764029 (E_RNA) where: Base-Base interactions energy: -23.153 where: short stacking energy: -23.153 Base-Backbone interact. energy: 0.003 local terms energy: -34.614407 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -6.035 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: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -55.580277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.580277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.580277 (E_RNA) where: Base-Base interactions energy: -25.212 where: short stacking energy: -25.212 Base-Backbone interact. energy: -0.140 local terms energy: -30.227758 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -51.639114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.639114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.639114 (E_RNA) where: Base-Base interactions energy: -16.994 where: short stacking energy: -16.994 Base-Backbone interact. energy: -0.097 local terms energy: -34.548762 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -56.062863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.062863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.062863 (E_RNA) where: Base-Base interactions energy: -27.210 where: short stacking energy: -10.326 Base-Backbone interact. energy: -0.099 local terms energy: -28.754007 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: 0.137 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: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -56.341040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.341040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.341040 (E_RNA) where: Base-Base interactions energy: -26.433 where: short stacking energy: -25.300 Base-Backbone interact. energy: -0.005 local terms energy: -29.902571 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -6.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -43.424488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.424488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.424488 (E_RNA) where: Base-Base interactions energy: -17.586 where: short stacking energy: -9.131 Base-Backbone interact. energy: -0.361 local terms energy: -25.476498 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -7.998 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: 0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -45.267786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.267786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.267786 (E_RNA) where: Base-Base interactions energy: -15.841 where: short stacking energy: -15.841 Base-Backbone interact. energy: -0.088 local terms energy: -29.339148 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -3.808 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: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -44.085401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.085401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.085401 (E_RNA) where: Base-Base interactions energy: -12.839 where: short stacking energy: -10.121 Base-Backbone interact. energy: -0.017 local terms energy: -31.229066 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.639 flat angles P-C4'-P energy: -5.742 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: 1, replica: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -71.660569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.660569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.660569 (E_RNA) where: Base-Base interactions energy: -29.832 where: short stacking energy: -29.832 Base-Backbone interact. energy: -0.001 local terms energy: -41.827889 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -9.482 flat angles P-C4'-P energy: -6.243 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: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -65.771511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.771511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.771511 (E_RNA) where: Base-Base interactions energy: -28.314 where: short stacking energy: -28.314 Base-Backbone interact. energy: -0.003 local terms energy: -37.455098 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -7.911 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: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -53.322550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.322550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.322550 (E_RNA) where: Base-Base interactions energy: -21.249 where: short stacking energy: -21.249 Base-Backbone interact. energy: -0.018 local terms energy: -32.055122 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -5.601 flat angles C4'-P-C4' energy: -8.926 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -59.492812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.492812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.492812 (E_RNA) where: Base-Base interactions energy: -26.319 where: short stacking energy: -17.277 Base-Backbone interact. energy: -0.001 local terms energy: -33.172831 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -4.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -58.127067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.127067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.127067 (E_RNA) where: Base-Base interactions energy: -24.121 where: short stacking energy: -24.121 Base-Backbone interact. energy: -0.000 local terms energy: -34.005877 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -49.158432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.158432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.158432 (E_RNA) where: Base-Base interactions energy: -19.657 where: short stacking energy: -19.616 Base-Backbone interact. energy: -0.103 local terms energy: -29.398461 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -0.933 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: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -47.369925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.369925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.369925 (E_RNA) where: Base-Base interactions energy: -18.551 where: short stacking energy: -18.551 Base-Backbone interact. energy: 0.412 local terms energy: -29.231657 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -3.836 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: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -43.829957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.829957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.829957 (E_RNA) where: Base-Base interactions energy: -14.077 where: short stacking energy: -14.077 Base-Backbone interact. energy: -0.057 local terms energy: -29.695728 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -50.306506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.306506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.306506 (E_RNA) where: Base-Base interactions energy: -18.159 where: short stacking energy: -18.159 Base-Backbone interact. energy: -0.014 local terms energy: -32.133509 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -50.675148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.675148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.675148 (E_RNA) where: Base-Base interactions energy: -20.854 where: short stacking energy: -13.706 Base-Backbone interact. energy: -0.001 local terms energy: -29.820674 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -5.983 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -4.274 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: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -66.032814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.032814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.032814 (E_RNA) where: Base-Base interactions energy: -28.462 where: short stacking energy: -28.462 Base-Backbone interact. energy: -0.031 local terms energy: -37.539496 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -64.733911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.733911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.733911 (E_RNA) where: Base-Base interactions energy: -28.520 where: short stacking energy: -28.520 Base-Backbone interact. energy: -0.000 local terms energy: -36.213775 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -7.234 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: 3, replica: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -56.150097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.150097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.150097 (E_RNA) where: Base-Base interactions energy: -23.013 where: short stacking energy: -23.013 Base-Backbone interact. energy: -0.666 local terms energy: -32.470726 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -69.490449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.490449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.490449 (E_RNA) where: Base-Base interactions energy: -33.775 where: short stacking energy: -33.775 Base-Backbone interact. energy: -0.000 local terms energy: -35.715144 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -5.519 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: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -65.033456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.033456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.033456 (E_RNA) where: Base-Base interactions energy: -33.773 where: short stacking energy: -18.421 Base-Backbone interact. energy: -0.000 local terms energy: -31.260233 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -3.401 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: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -61.130082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.130082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.130082 (E_RNA) where: Base-Base interactions energy: -30.016 where: short stacking energy: -30.016 Base-Backbone interact. energy: -0.000 local terms energy: -31.114338 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -51.331399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.331399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.331399 (E_RNA) where: Base-Base interactions energy: -17.236 where: short stacking energy: -17.236 Base-Backbone interact. energy: -0.006 local terms energy: -34.089135 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -7.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -42.480164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.480164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.480164 (E_RNA) where: Base-Base interactions energy: -15.346 where: short stacking energy: -15.346 Base-Backbone interact. energy: -0.003 local terms energy: -27.131351 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: 0.054 tors. eta vs tors. theta energy: -3.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -44.340397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.340397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.340397 (E_RNA) where: Base-Base interactions energy: -18.184 where: short stacking energy: -18.184 Base-Backbone interact. energy: -0.012 local terms energy: -26.144373 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.963 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: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -45.551536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.551536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.551536 (E_RNA) where: Base-Base interactions energy: -15.552 where: short stacking energy: -10.430 Base-Backbone interact. energy: -0.006 local terms energy: -29.993909 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -6.232 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: 1, replica: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -60.148538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.148538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.148538 (E_RNA) where: Base-Base interactions energy: -27.018 where: short stacking energy: -27.018 Base-Backbone interact. energy: -0.002 local terms energy: -33.128487 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -7.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -60.434086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.434086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.434086 (E_RNA) where: Base-Base interactions energy: -26.136 where: short stacking energy: -26.136 Base-Backbone interact. energy: -0.002 local terms energy: -34.296059 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -3.717 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: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -74.729760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.729760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.729760 (E_RNA) where: Base-Base interactions energy: -41.723 where: short stacking energy: -33.714 Base-Backbone interact. energy: 0.003 local terms energy: -33.010473 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -7.730 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -8.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -66.972484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.972484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.972484 (E_RNA) where: Base-Base interactions energy: -27.459 where: short stacking energy: -24.707 Base-Backbone interact. energy: -0.872 local terms energy: -38.641647 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -7.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -55.071856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.071856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.071856 (E_RNA) where: Base-Base interactions energy: -26.658 where: short stacking energy: -15.133 Base-Backbone interact. energy: -0.715 local terms energy: -27.698674 where: bonds (distance) C4'-P energy: -7.033 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -48.800674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.800674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.800674 (E_RNA) where: Base-Base interactions energy: -21.619 where: short stacking energy: -19.534 Base-Backbone interact. energy: -0.011 local terms energy: -27.170612 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -6.852 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -44.897103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.897103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.897103 (E_RNA) where: Base-Base interactions energy: -16.625 where: short stacking energy: -16.625 Base-Backbone interact. energy: -0.041 local terms energy: -28.230625 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -6.277 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: 8, replica: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -42.113793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.113793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.113793 (E_RNA) where: Base-Base interactions energy: -17.465 where: short stacking energy: -17.465 Base-Backbone interact. energy: -0.129 local terms energy: -24.520116 where: bonds (distance) C4'-P energy: -3.825 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.346 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -0.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -38.789509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.789509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.789509 (E_RNA) where: Base-Base interactions energy: -11.831 where: short stacking energy: -11.831 Base-Backbone interact. energy: -0.113 local terms energy: -26.845025 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -0.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -40.530712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.530712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.530712 (E_RNA) where: Base-Base interactions energy: -16.078 where: short stacking energy: -16.078 Base-Backbone interact. energy: -0.261 local terms energy: -24.192272 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: 0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -62.103295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.103295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.103295 (E_RNA) where: Base-Base interactions energy: -28.496 where: short stacking energy: -28.496 Base-Backbone interact. energy: -0.023 local terms energy: -33.584311 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -4.473 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: 92 Temperature: 0.950000 Total energy: -65.682734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.682734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.682734 (E_RNA) where: Base-Base interactions energy: -27.299 where: short stacking energy: -27.299 Base-Backbone interact. energy: -0.000 local terms energy: -38.383695 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -9.985 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: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -78.547019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.547019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.547019 (E_RNA) where: Base-Base interactions energy: -44.998 where: short stacking energy: -27.138 Base-Backbone interact. energy: -0.160 local terms energy: -33.388840 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -8.038 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: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -63.277559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.277559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.277559 (E_RNA) where: Base-Base interactions energy: -31.196 where: short stacking energy: -31.196 Base-Backbone interact. energy: -0.003 local terms energy: -32.079037 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -4.776 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: 5 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -51.944453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.944453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.944453 (E_RNA) where: Base-Base interactions energy: -20.829 where: short stacking energy: -20.829 Base-Backbone interact. energy: -0.115 local terms energy: -31.000055 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -53.866463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.866463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.866463 (E_RNA) where: Base-Base interactions energy: -21.682 where: short stacking energy: -21.682 Base-Backbone interact. energy: -0.138 local terms energy: -32.046532 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -5.962 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: 7, replica: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -54.024184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.024184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.024184 (E_RNA) where: Base-Base interactions energy: -22.316 where: short stacking energy: -22.316 Base-Backbone interact. energy: -0.027 local terms energy: -31.681683 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.026 flat angles P-C4'-P energy: -1.696 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -42.872628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.872628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.872628 (E_RNA) where: Base-Base interactions energy: -14.986 where: short stacking energy: -14.986 Base-Backbone interact. energy: -0.001 local terms energy: -27.885356 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.342 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: -1.920 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: 92 Temperature: 1.300000 Total energy: -49.637717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.637717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.637717 (E_RNA) where: Base-Base interactions energy: -23.118 where: short stacking energy: -23.118 Base-Backbone interact. energy: -0.000 local terms energy: -26.519784 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -3.848 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -39.739420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.739420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.739420 (E_RNA) where: Base-Base interactions energy: -14.561 where: short stacking energy: -15.756 Base-Backbone interact. energy: -0.106 local terms energy: -25.072459 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -2.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -69.379045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.379045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.379045 (E_RNA) where: Base-Base interactions energy: -30.019 where: short stacking energy: -30.019 Base-Backbone interact. energy: -0.000 local terms energy: -39.360079 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -7.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -61.504217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.504217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.504217 (E_RNA) where: Base-Base interactions energy: -26.132 where: short stacking energy: -21.504 Base-Backbone interact. energy: -0.108 local terms energy: -35.263648 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -66.777539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.777539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.777539 (E_RNA) where: Base-Base interactions energy: -33.635 where: short stacking energy: -21.295 Base-Backbone interact. energy: -0.000 local terms energy: -33.142034 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -48.182141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.182141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.182141 (E_RNA) where: Base-Base interactions energy: -21.174 where: short stacking energy: -21.174 Base-Backbone interact. energy: -0.031 local terms energy: -26.976989 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -46.359777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.359777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.359777 (E_RNA) where: Base-Base interactions energy: -19.403 where: short stacking energy: -19.403 Base-Backbone interact. energy: -0.004 local terms energy: -26.952861 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -0.956 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: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -51.533870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.533870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.533870 (E_RNA) where: Base-Base interactions energy: -16.987 where: short stacking energy: -16.361 Base-Backbone interact. energy: -0.000 local terms energy: -34.546344 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -5.298 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: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -61.165508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.165508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.165508 (E_RNA) where: Base-Base interactions energy: -29.723 where: short stacking energy: -24.028 Base-Backbone interact. energy: -0.010 local terms energy: -31.432436 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -44.720674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.720674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.720674 (E_RNA) where: Base-Base interactions energy: -16.107 where: short stacking energy: -16.107 Base-Backbone interact. energy: -0.012 local terms energy: -28.601533 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -9.305 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -40.986699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.986699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.986699 (E_RNA) where: Base-Base interactions energy: -16.270 where: short stacking energy: -8.351 Base-Backbone interact. energy: -0.111 local terms energy: -24.605729 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: 0.956 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: 10, replica: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -41.963991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.963991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.963991 (E_RNA) where: Base-Base interactions energy: -15.769 where: short stacking energy: -15.346 Base-Backbone interact. energy: -0.005 local terms energy: -26.190813 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -75.886954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.886954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.886954 (E_RNA) where: Base-Base interactions energy: -39.687 where: short stacking energy: -29.438 Base-Backbone interact. energy: -1.826 local terms energy: -34.373880 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -7.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -68.122219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.122219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.122219 (E_RNA) where: Base-Base interactions energy: -30.578 where: short stacking energy: -30.578 Base-Backbone interact. energy: -0.000 local terms energy: -37.544668 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -67.371421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.371421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.371421 (E_RNA) where: Base-Base interactions energy: -35.945 where: short stacking energy: -23.927 Base-Backbone interact. energy: -0.001 local terms energy: -31.425038 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -65.155110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.155110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.155110 (E_RNA) where: Base-Base interactions energy: -31.023 where: short stacking energy: -23.573 Base-Backbone interact. energy: -0.001 local terms energy: -34.131914 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -6.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -63.729026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.729026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.729026 (E_RNA) where: Base-Base interactions energy: -27.650 where: short stacking energy: -27.650 Base-Backbone interact. energy: -0.000 local terms energy: -36.078806 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -4.814 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: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -52.881919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.881919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.881919 (E_RNA) where: Base-Base interactions energy: -23.916 where: short stacking energy: -17.801 Base-Backbone interact. energy: 0.192 local terms energy: -29.157716 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -3.912 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: 7, replica: 10 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -49.062500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.062500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.062500 (E_RNA) where: Base-Base interactions energy: -16.478 where: short stacking energy: -16.478 Base-Backbone interact. energy: -0.005 local terms energy: -32.579703 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -43.490442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.490442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.490442 (E_RNA) where: Base-Base interactions energy: -17.431 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.106 local terms energy: -25.952570 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -45.131164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.131164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.131164 (E_RNA) where: Base-Base interactions energy: -16.661 where: short stacking energy: -16.523 Base-Backbone interact. energy: -0.012 local terms energy: -28.458166 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.299 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -3.352 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: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -40.459082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.459082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.459082 (E_RNA) where: Base-Base interactions energy: -17.586 where: short stacking energy: -17.586 Base-Backbone interact. energy: -0.001 local terms energy: -22.872494 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -3.392 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -3.128 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: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -76.060331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.060331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.060331 (E_RNA) where: Base-Base interactions energy: -39.983 where: short stacking energy: -30.036 Base-Backbone interact. energy: -0.001 local terms energy: -36.076808 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -7.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -51.996397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.996397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.996397 (E_RNA) where: Base-Base interactions energy: -29.410 where: short stacking energy: -21.434 Base-Backbone interact. energy: -0.280 local terms energy: -22.306116 where: bonds (distance) C4'-P energy: -1.672 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -56.838438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.838438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.838438 (E_RNA) where: Base-Base interactions energy: -24.541 where: short stacking energy: -24.541 Base-Backbone interact. energy: -0.001 local terms energy: -32.297031 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -5.744 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: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -61.036680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.036680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.036680 (E_RNA) where: Base-Base interactions energy: -27.709 where: short stacking energy: -22.418 Base-Backbone interact. energy: -0.000 local terms energy: -33.326995 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -6.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -50.253765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.253765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.253765 (E_RNA) where: Base-Base interactions energy: -21.988 where: short stacking energy: -21.988 Base-Backbone interact. energy: -0.000 local terms energy: -28.265810 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: 0.426 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: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -43.371429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.371429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.371429 (E_RNA) where: Base-Base interactions energy: -13.596 where: short stacking energy: -13.596 Base-Backbone interact. energy: -0.026 local terms energy: -29.749403 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -5.735 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: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -47.415785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.415785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.415785 (E_RNA) where: Base-Base interactions energy: -20.144 where: short stacking energy: -20.144 Base-Backbone interact. energy: -0.010 local terms energy: -27.262222 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -43.776353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.776353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.776353 (E_RNA) where: Base-Base interactions energy: -12.864 where: short stacking energy: -12.864 Base-Backbone interact. energy: -0.001 local terms energy: -30.911203 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -5.365 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: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -44.926184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.926184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.926184 (E_RNA) where: Base-Base interactions energy: -15.142 where: short stacking energy: -15.142 Base-Backbone interact. energy: -0.127 local terms energy: -29.657524 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -40.665798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.665798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.665798 (E_RNA) where: Base-Base interactions energy: -18.746 where: short stacking energy: -9.682 Base-Backbone interact. energy: -0.629 local terms energy: -21.290825 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -6.774 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: 0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -84.166821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.166821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.166821 (E_RNA) where: Base-Base interactions energy: -45.416 where: short stacking energy: -28.494 Base-Backbone interact. energy: -0.600 local terms energy: -38.150594 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -8.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -51.312461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.312461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.312461 (E_RNA) where: Base-Base interactions energy: -19.199 where: short stacking energy: -19.199 Base-Backbone interact. energy: -0.038 local terms energy: -32.075612 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -6.341 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: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -57.877771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.877771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.877771 (E_RNA) where: Base-Base interactions energy: -25.332 where: short stacking energy: -17.780 Base-Backbone interact. energy: -0.038 local terms energy: -32.507540 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -5.259 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: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -55.126898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.126898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.126898 (E_RNA) where: Base-Base interactions energy: -28.183 where: short stacking energy: -15.869 Base-Backbone interact. energy: 0.304 local terms energy: -27.247639 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -5.554 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: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -47.662859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.662859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.662859 (E_RNA) where: Base-Base interactions energy: -17.579 where: short stacking energy: -17.579 Base-Backbone interact. energy: -0.010 local terms energy: -30.073736 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -50.644056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.644056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.644056 (E_RNA) where: Base-Base interactions energy: -22.718 where: short stacking energy: -22.718 Base-Backbone interact. energy: -0.035 local terms energy: -27.891416 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -6.740 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -48.392892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.392892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.392892 (E_RNA) where: Base-Base interactions energy: -27.957 where: short stacking energy: -15.659 Base-Backbone interact. energy: -0.422 local terms energy: -20.013768 where: bonds (distance) C4'-P energy: -4.051 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -1.884 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -48.973049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.973049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.973049 (E_RNA) where: Base-Base interactions energy: -20.068 where: short stacking energy: -20.068 Base-Backbone interact. energy: -0.001 local terms energy: -28.903684 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -0.623 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: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -41.282933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.282933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.282933 (E_RNA) where: Base-Base interactions energy: -18.326 where: short stacking energy: -17.497 Base-Backbone interact. energy: -0.239 local terms energy: -22.717656 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.056 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -1.328 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: 2 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -50.856552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.856552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.856552 (E_RNA) where: Base-Base interactions energy: -18.421 where: short stacking energy: -18.421 Base-Backbone interact. energy: -0.000 local terms energy: -32.435835 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -78.601999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.601999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.601999 (E_RNA) where: Base-Base interactions energy: -46.405 where: short stacking energy: -27.819 Base-Backbone interact. energy: -0.089 local terms energy: -32.107555 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -61.509999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.509999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.509999 (E_RNA) where: Base-Base interactions energy: -26.545 where: short stacking energy: -26.545 Base-Backbone interact. energy: -0.000 local terms energy: -34.964561 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -6.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -54.418201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.418201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.418201 (E_RNA) where: Base-Base interactions energy: -26.252 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.045 local terms energy: -28.121535 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -0.946 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: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -53.761278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.761278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.761278 (E_RNA) where: Base-Base interactions energy: -20.781 where: short stacking energy: -15.956 Base-Backbone interact. energy: -0.124 local terms energy: -32.856343 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -8.723 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -58.670719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.670719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.670719 (E_RNA) where: Base-Base interactions energy: -34.138 where: short stacking energy: -14.135 Base-Backbone interact. energy: -0.103 local terms energy: -24.429546 where: bonds (distance) C4'-P energy: -4.463 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -51.200473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.200473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.200473 (E_RNA) where: Base-Base interactions energy: -19.678 where: short stacking energy: -19.678 Base-Backbone interact. energy: 0.307 local terms energy: -31.829559 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -50.417540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.417540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.417540 (E_RNA) where: Base-Base interactions energy: -19.821 where: short stacking energy: -19.821 Base-Backbone interact. energy: -0.000 local terms energy: -30.596102 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -39.162218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.162218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.162218 (E_RNA) where: Base-Base interactions energy: -15.513 where: short stacking energy: -15.513 Base-Backbone interact. energy: -0.004 local terms energy: -23.645304 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -3.483 flat angles P-C4'-P energy: -3.524 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: 9, replica: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -53.251989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.251989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.251989 (E_RNA) where: Base-Base interactions energy: -24.091 where: short stacking energy: -24.091 Base-Backbone interact. energy: -0.000 local terms energy: -29.160926 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -6.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -42.427003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.427003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.427003 (E_RNA) where: Base-Base interactions energy: -18.967 where: short stacking energy: -17.962 Base-Backbone interact. energy: -0.008 local terms energy: -23.451191 where: bonds (distance) C4'-P energy: -1.576 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -1.565 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: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -71.604822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.604822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.604822 (E_RNA) where: Base-Base interactions energy: -36.628 where: short stacking energy: -30.871 Base-Backbone interact. energy: -0.001 local terms energy: -34.975580 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -5.781 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: 2, replica: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -84.279105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.279105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.279105 (E_RNA) where: Base-Base interactions energy: -47.751 where: short stacking energy: -30.483 Base-Backbone interact. energy: -0.068 local terms energy: -36.460389 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -9.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -51.255450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.255450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.255450 (E_RNA) where: Base-Base interactions energy: -20.494 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.004 local terms energy: -30.757153 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -6.367 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: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -53.587510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.587510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.587510 (E_RNA) where: Base-Base interactions energy: -24.122 where: short stacking energy: -15.316 Base-Backbone interact. energy: 0.919 local terms energy: -30.384542 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -51.739079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.739079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.739079 (E_RNA) where: Base-Base interactions energy: -22.332 where: short stacking energy: -13.073 Base-Backbone interact. energy: -0.025 local terms energy: -29.382777 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -51.762001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.762001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.762001 (E_RNA) where: Base-Base interactions energy: -26.052 where: short stacking energy: -26.052 Base-Backbone interact. energy: -0.009 local terms energy: -25.700875 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -4.636 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -0.901 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: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -37.366463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.366463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.366463 (E_RNA) where: Base-Base interactions energy: -11.359 where: short stacking energy: -11.359 Base-Backbone interact. energy: -0.126 local terms energy: -25.880919 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -1.634 flat angles P-C4'-P energy: -5.270 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: 8, replica: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -38.434684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.434684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.434684 (E_RNA) where: Base-Base interactions energy: -8.514 where: short stacking energy: -8.514 Base-Backbone interact. energy: -0.000 local terms energy: -29.920029 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: 0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -49.231169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.231169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.231169 (E_RNA) where: Base-Base interactions energy: -18.982 where: short stacking energy: -18.982 Base-Backbone interact. energy: 0.303 local terms energy: -30.552191 where: bonds (distance) C4'-P energy: -4.520 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -41.094331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.094331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.094331 (E_RNA) where: Base-Base interactions energy: -13.360 where: short stacking energy: -12.526 Base-Backbone interact. energy: -0.094 local terms energy: -27.639787 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -74.065757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.065757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.065757 (E_RNA) where: Base-Base interactions energy: -39.070 where: short stacking energy: -27.809 Base-Backbone interact. energy: -0.000 local terms energy: -34.995785 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -7.769 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -6.527 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -80.900259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.900259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.900259 (E_RNA) where: Base-Base interactions energy: -45.009 where: short stacking energy: -26.289 Base-Backbone interact. energy: -0.001 local terms energy: -35.890460 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -5.499 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -8.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -69.743407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.743407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.743407 (E_RNA) where: Base-Base interactions energy: -32.893 where: short stacking energy: -19.003 Base-Backbone interact. energy: -0.305 local terms energy: -36.545306 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -6.802 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: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -56.703216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.703216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.703216 (E_RNA) where: Base-Base interactions energy: -26.318 where: short stacking energy: -11.605 Base-Backbone interact. energy: -0.057 local terms energy: -30.328823 where: bonds (distance) C4'-P energy: -6.581 bonds (distance) P-C4' energy: -6.186 flat angles C4'-P-C4' energy: -8.746 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -2.134 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: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -52.508787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.508787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.508787 (E_RNA) where: Base-Base interactions energy: -23.067 where: short stacking energy: -18.443 Base-Backbone interact. energy: -0.000 local terms energy: -29.441337 where: bonds (distance) C4'-P energy: -6.234 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -57.085903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.085903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.085903 (E_RNA) where: Base-Base interactions energy: -23.383 where: short stacking energy: -19.617 Base-Backbone interact. energy: -0.000 local terms energy: -33.702436 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -4.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -44.953619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.953619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.953619 (E_RNA) where: Base-Base interactions energy: -16.588 where: short stacking energy: -16.588 Base-Backbone interact. energy: -0.000 local terms energy: -28.365627 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -44.425755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.425755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.425755 (E_RNA) where: Base-Base interactions energy: -14.338 where: short stacking energy: -14.338 Base-Backbone interact. energy: -0.147 local terms energy: -29.940099 where: bonds (distance) C4'-P energy: -5.443 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -7.067 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -40.339014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.339014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.339014 (E_RNA) where: Base-Base interactions energy: -17.747 where: short stacking energy: -14.453 Base-Backbone interact. energy: 1.472 local terms energy: -24.064277 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -5.430 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: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -36.971736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.971736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.971736 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.124 local terms energy: -25.426782 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -3.073 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: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -60.846920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.846920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.846920 (E_RNA) where: Base-Base interactions energy: -25.107 where: short stacking energy: -25.107 Base-Backbone interact. energy: -0.000 local terms energy: -35.739691 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -64.798280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.798280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.798280 (E_RNA) where: Base-Base interactions energy: -25.858 where: short stacking energy: -21.448 Base-Backbone interact. energy: -0.001 local terms energy: -38.939827 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -7.636 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: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -60.262962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.262962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.262962 (E_RNA) where: Base-Base interactions energy: -28.035 where: short stacking energy: -26.543 Base-Backbone interact. energy: -0.074 local terms energy: -32.154443 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -53.902073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.902073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.902073 (E_RNA) where: Base-Base interactions energy: -20.653 where: short stacking energy: -20.653 Base-Backbone interact. energy: -0.004 local terms energy: -33.245260 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -7.280 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: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -52.652339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.652339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.652339 (E_RNA) where: Base-Base interactions energy: -25.503 where: short stacking energy: -23.472 Base-Backbone interact. energy: -0.245 local terms energy: -26.904006 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -3.278 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -4.264 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: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -48.785858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.785858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.785858 (E_RNA) where: Base-Base interactions energy: -21.293 where: short stacking energy: -20.046 Base-Backbone interact. energy: -0.056 local terms energy: -27.436437 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -5.510 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -48.889256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.889256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.889256 (E_RNA) where: Base-Base interactions energy: -24.596 where: short stacking energy: -20.778 Base-Backbone interact. energy: -0.136 local terms energy: -24.157043 where: bonds (distance) C4'-P energy: -2.926 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -51.221681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.221681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.221681 (E_RNA) where: Base-Base interactions energy: -17.719 where: short stacking energy: -17.719 Base-Backbone interact. energy: -0.161 local terms energy: -33.341446 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.861 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -52.665902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.665902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.665902 (E_RNA) where: Base-Base interactions energy: -25.113 where: short stacking energy: -23.168 Base-Backbone interact. energy: 1.806 local terms energy: -29.358404 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -7.992 flat angles P-C4'-P energy: -6.092 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: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -47.800980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.800980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.800980 (E_RNA) where: Base-Base interactions energy: -17.755 where: short stacking energy: -17.755 Base-Backbone interact. energy: -0.054 local terms energy: -29.991481 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -67.979860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.979860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.979860 (E_RNA) where: Base-Base interactions energy: -41.302 where: short stacking energy: -30.349 Base-Backbone interact. energy: -0.074 local terms energy: -26.603972 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -2.671 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: 2, replica: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -68.522457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.522457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.522457 (E_RNA) where: Base-Base interactions energy: -32.557 where: short stacking energy: -19.185 Base-Backbone interact. energy: -0.073 local terms energy: -35.891729 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: -5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -63.818086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.818086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.818086 (E_RNA) where: Base-Base interactions energy: -32.775 where: short stacking energy: -15.063 Base-Backbone interact. energy: -0.015 local terms energy: -31.028002 where: bonds (distance) C4'-P energy: -6.219 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -2.198 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: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -75.596717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.596717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.596717 (E_RNA) where: Base-Base interactions energy: -37.278 where: short stacking energy: -29.601 Base-Backbone interact. energy: -0.036 local terms energy: -38.282746 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -8.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -50.117106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.117106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.117106 (E_RNA) where: Base-Base interactions energy: -21.672 where: short stacking energy: -22.067 Base-Backbone interact. energy: -0.098 local terms energy: -28.347319 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -5.664 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -61.551213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.551213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.551213 (E_RNA) where: Base-Base interactions energy: -24.771 where: short stacking energy: -24.771 Base-Backbone interact. energy: -0.000 local terms energy: -36.779782 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -9.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -50.184960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.184960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.184960 (E_RNA) where: Base-Base interactions energy: -21.214 where: short stacking energy: -19.833 Base-Backbone interact. energy: -0.000 local terms energy: -28.970964 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -1.570 tors. eta vs tors. theta energy: -4.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -36.692189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.692189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.692189 (E_RNA) where: Base-Base interactions energy: -9.231 where: short stacking energy: -9.231 Base-Backbone interact. energy: -0.096 local terms energy: -27.364973 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -2.123 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: 9, replica: 5 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -46.334175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.334175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.334175 (E_RNA) where: Base-Base interactions energy: -18.704 where: short stacking energy: -18.594 Base-Backbone interact. energy: -0.021 local terms energy: -27.609136 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -40.938544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.938544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.938544 (E_RNA) where: Base-Base interactions energy: -15.282 where: short stacking energy: -14.550 Base-Backbone interact. energy: -0.510 local terms energy: -25.146578 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.844 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -71.935202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.935202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.935202 (E_RNA) where: Base-Base interactions energy: -36.558 where: short stacking energy: -29.362 Base-Backbone interact. energy: -0.002 local terms energy: -35.375190 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -5.838 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: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -75.450554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.450554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.450554 (E_RNA) where: Base-Base interactions energy: -41.349 where: short stacking energy: -26.904 Base-Backbone interact. energy: 0.024 local terms energy: -34.125740 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -65.933225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.933225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.933225 (E_RNA) where: Base-Base interactions energy: -38.913 where: short stacking energy: -17.142 Base-Backbone interact. energy: -0.027 local terms energy: -26.992863 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -66.654833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.654833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.654833 (E_RNA) where: Base-Base interactions energy: -30.724 where: short stacking energy: -18.952 Base-Backbone interact. energy: -0.000 local terms energy: -35.930860 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -51.011567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.011567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.011567 (E_RNA) where: Base-Base interactions energy: -24.845 where: short stacking energy: -16.592 Base-Backbone interact. energy: -0.006 local terms energy: -26.161103 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -1.527 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -48.416151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.416151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.416151 (E_RNA) where: Base-Base interactions energy: -21.812 where: short stacking energy: -16.450 Base-Backbone interact. energy: -0.090 local terms energy: -26.514142 where: bonds (distance) C4'-P energy: -4.720 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -44.749066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.749066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.749066 (E_RNA) where: Base-Base interactions energy: -17.128 where: short stacking energy: -11.282 Base-Backbone interact. energy: -0.017 local terms energy: -27.603805 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.903 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: 8, replica: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -49.502329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.502329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.502329 (E_RNA) where: Base-Base interactions energy: -16.880 where: short stacking energy: -11.484 Base-Backbone interact. energy: -0.001 local terms energy: -32.621234 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -6.970 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: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -47.381471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.381471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.381471 (E_RNA) where: Base-Base interactions energy: -17.424 where: short stacking energy: -17.424 Base-Backbone interact. energy: -0.018 local terms energy: -29.939274 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -1.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -42.098513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.098513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.098513 (E_RNA) where: Base-Base interactions energy: -12.644 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.001 local terms energy: -29.454197 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -73.997677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.997677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.997677 (E_RNA) where: Base-Base interactions energy: -38.710 where: short stacking energy: -25.019 Base-Backbone interact. energy: 0.292 local terms energy: -35.579837 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.769 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -7.508 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -71.060669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.060669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.060669 (E_RNA) where: Base-Base interactions energy: -33.019 where: short stacking energy: -33.019 Base-Backbone interact. energy: -0.000 local terms energy: -38.041620 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -9.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -70.300033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.300033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.300033 (E_RNA) where: Base-Base interactions energy: -37.825 where: short stacking energy: -18.143 Base-Backbone interact. energy: -0.355 local terms energy: -32.120586 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -48.402870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.402870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.402870 (E_RNA) where: Base-Base interactions energy: -20.268 where: short stacking energy: -13.754 Base-Backbone interact. energy: -0.191 local terms energy: -27.943749 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -65.127188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.127188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.127188 (E_RNA) where: Base-Base interactions energy: -31.614 where: short stacking energy: -18.112 Base-Backbone interact. energy: -0.807 local terms energy: -32.706008 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -6.489 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: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -49.611760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.611760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.611760 (E_RNA) where: Base-Base interactions energy: -17.390 where: short stacking energy: -17.390 Base-Backbone interact. energy: -0.009 local terms energy: -32.212401 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -43.951947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.951947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.951947 (E_RNA) where: Base-Base interactions energy: -17.898 where: short stacking energy: -17.898 Base-Backbone interact. energy: -0.001 local terms energy: -26.053309 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -54.808712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.808712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.808712 (E_RNA) where: Base-Base interactions energy: -24.525 where: short stacking energy: -21.881 Base-Backbone interact. energy: -0.000 local terms energy: -30.282864 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.244 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -6.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -41.169728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.169728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.169728 (E_RNA) where: Base-Base interactions energy: -14.160 where: short stacking energy: -14.160 Base-Backbone interact. energy: 0.018 local terms energy: -27.027643 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -5.692 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: 10, replica: 5 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -38.607714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.607714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.607714 (E_RNA) where: Base-Base interactions energy: -11.910 where: short stacking energy: -11.910 Base-Backbone interact. energy: -0.003 local terms energy: -26.694369 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -69.675592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.675592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.675592 (E_RNA) where: Base-Base interactions energy: -37.055 where: short stacking energy: -27.219 Base-Backbone interact. energy: -0.052 local terms energy: -32.569333 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -64.995902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.995902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.995902 (E_RNA) where: Base-Base interactions energy: -28.778 where: short stacking energy: -28.190 Base-Backbone interact. energy: -0.001 local terms energy: -36.217302 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.337 flat angles P-C4'-P energy: -6.715 tors. eta vs tors. theta energy: -7.836 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: 3, replica: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -55.349280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.349280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.349280 (E_RNA) where: Base-Base interactions energy: -23.994 where: short stacking energy: -23.994 Base-Backbone interact. energy: -0.187 local terms energy: -31.168796 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -2.130 tors. eta vs tors. theta energy: -6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -58.658206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.658206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.658206 (E_RNA) where: Base-Base interactions energy: -23.932 where: short stacking energy: -23.862 Base-Backbone interact. energy: -0.001 local terms energy: -34.725930 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -6.376 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: 5, replica: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -58.236289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.236289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.236289 (E_RNA) where: Base-Base interactions energy: -24.069 where: short stacking energy: -23.809 Base-Backbone interact. energy: 0.111 local terms energy: -34.278526 where: bonds (distance) C4'-P energy: -6.118 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -7.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -46.559957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.559957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.559957 (E_RNA) where: Base-Base interactions energy: -18.648 where: short stacking energy: -18.648 Base-Backbone interact. energy: -0.008 local terms energy: -27.903679 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -52.005607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.005607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.005607 (E_RNA) where: Base-Base interactions energy: -24.486 where: short stacking energy: -20.007 Base-Backbone interact. energy: -0.006 local terms energy: -27.514128 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -3.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -45.496232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.496232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.496232 (E_RNA) where: Base-Base interactions energy: -22.077 where: short stacking energy: -14.039 Base-Backbone interact. energy: -0.030 local terms energy: -23.389314 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -0.815 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -38.409762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.409762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.409762 (E_RNA) where: Base-Base interactions energy: -12.710 where: short stacking energy: -12.710 Base-Backbone interact. energy: -0.051 local terms energy: -25.649244 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -37.483060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.483060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.483060 (E_RNA) where: Base-Base interactions energy: -13.051 where: short stacking energy: -13.051 Base-Backbone interact. energy: -0.011 local terms energy: -24.421005 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -5.795 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: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -70.267220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.267220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.267220 (E_RNA) where: Base-Base interactions energy: -35.767 where: short stacking energy: -25.348 Base-Backbone interact. energy: -0.001 local terms energy: -34.499176 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -56.823397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.823397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.823397 (E_RNA) where: Base-Base interactions energy: -19.866 where: short stacking energy: -19.866 Base-Backbone interact. energy: -0.000 local terms energy: -36.957156 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -7.015 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: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -55.711157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.711157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.711157 (E_RNA) where: Base-Base interactions energy: -18.364 where: short stacking energy: -18.364 Base-Backbone interact. energy: -0.062 local terms energy: -37.285630 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -5.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -56.216912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.216912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.216912 (E_RNA) where: Base-Base interactions energy: -23.915 where: short stacking energy: -23.915 Base-Backbone interact. energy: -0.034 local terms energy: -32.268147 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -58.457604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.457604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.457604 (E_RNA) where: Base-Base interactions energy: -29.780 where: short stacking energy: -24.488 Base-Backbone interact. energy: -0.044 local terms energy: -28.633472 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -5.243 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -5.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -55.117841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.117841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.117841 (E_RNA) where: Base-Base interactions energy: -25.071 where: short stacking energy: -20.059 Base-Backbone interact. energy: -0.001 local terms energy: -30.046178 where: bonds (distance) C4'-P energy: -6.330 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -4.838 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: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -48.681982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.681982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.681982 (E_RNA) where: Base-Base interactions energy: -17.446 where: short stacking energy: -14.706 Base-Backbone interact. energy: -0.118 local terms energy: -31.118235 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -44.752495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.752495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.752495 (E_RNA) where: Base-Base interactions energy: -16.133 where: short stacking energy: -15.403 Base-Backbone interact. energy: -0.098 local terms energy: -28.521650 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -6.960 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -5.992 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -50.784676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.784676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.784676 (E_RNA) where: Base-Base interactions energy: -20.319 where: short stacking energy: -20.319 Base-Backbone interact. energy: -0.047 local terms energy: -30.418569 where: bonds (distance) C4'-P energy: -5.647 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -40.662908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.662908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.662908 (E_RNA) where: Base-Base interactions energy: -11.631 where: short stacking energy: -10.480 Base-Backbone interact. energy: -0.090 local terms energy: -28.941352 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -72.521562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.521562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.521562 (E_RNA) where: Base-Base interactions energy: -39.205 where: short stacking energy: -19.515 Base-Backbone interact. energy: -0.161 local terms energy: -33.156224 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -60.272532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.272532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.272532 (E_RNA) where: Base-Base interactions energy: -24.182 where: short stacking energy: -24.182 Base-Backbone interact. energy: -0.000 local terms energy: -36.090324 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -8.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -59.931673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.931673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.931673 (E_RNA) where: Base-Base interactions energy: -28.471 where: short stacking energy: -26.097 Base-Backbone interact. energy: -0.000 local terms energy: -31.460662 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.374 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -55.575628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.575628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.575628 (E_RNA) where: Base-Base interactions energy: -25.395 where: short stacking energy: -24.892 Base-Backbone interact. energy: -0.001 local terms energy: -30.179703 where: bonds (distance) C4'-P energy: -3.584 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -9.119 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -5.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -52.237596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.237596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.237596 (E_RNA) where: Base-Base interactions energy: -20.680 where: short stacking energy: -20.680 Base-Backbone interact. energy: -0.011 local terms energy: -31.546429 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -55.967385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.967385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.967385 (E_RNA) where: Base-Base interactions energy: -22.366 where: short stacking energy: -14.173 Base-Backbone interact. energy: -1.018 local terms energy: -32.582916 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -4.042 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: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -48.074780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.074780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.074780 (E_RNA) where: Base-Base interactions energy: -21.133 where: short stacking energy: -21.133 Base-Backbone interact. energy: -0.097 local terms energy: -26.844916 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -48.294414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.294414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.294414 (E_RNA) where: Base-Base interactions energy: -16.615 where: short stacking energy: -16.615 Base-Backbone interact. energy: -0.000 local terms energy: -31.679389 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -44.619903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.619903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.619903 (E_RNA) where: Base-Base interactions energy: -15.472 where: short stacking energy: -15.472 Base-Backbone interact. energy: -0.000 local terms energy: -29.147898 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -43.211332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.211332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.211332 (E_RNA) where: Base-Base interactions energy: -11.309 where: short stacking energy: -6.462 Base-Backbone interact. energy: -0.103 local terms energy: -31.799373 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -8.130 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -75.025819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.025819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.025819 (E_RNA) where: Base-Base interactions energy: -38.812 where: short stacking energy: -29.407 Base-Backbone interact. energy: 0.099 local terms energy: -36.313084 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -6.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -60.516566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.516566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.516566 (E_RNA) where: Base-Base interactions energy: -26.751 where: short stacking energy: -26.751 Base-Backbone interact. energy: -0.203 local terms energy: -33.562929 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -54.847976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.847976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.847976 (E_RNA) where: Base-Base interactions energy: -22.046 where: short stacking energy: -22.046 Base-Backbone interact. energy: -0.006 local terms energy: -32.796004 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -0.791 tors. eta vs tors. theta energy: -8.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -46.965263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.965263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.965263 (E_RNA) where: Base-Base interactions energy: -18.004 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.076 local terms energy: -28.885266 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -59.085298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.085298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.085298 (E_RNA) where: Base-Base interactions energy: -27.472 where: short stacking energy: -27.472 Base-Backbone interact. energy: -0.032 local terms energy: -31.581615 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -7.723 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: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -53.602674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.602674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.602674 (E_RNA) where: Base-Base interactions energy: -19.213 where: short stacking energy: -19.213 Base-Backbone interact. energy: -0.000 local terms energy: -34.389393 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -6.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -47.442852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.442852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.442852 (E_RNA) where: Base-Base interactions energy: -20.679 where: short stacking energy: -20.679 Base-Backbone interact. energy: -0.015 local terms energy: -26.748301 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -5.200 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: 7 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -53.251131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.251131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.251131 (E_RNA) where: Base-Base interactions energy: -23.470 where: short stacking energy: -22.576 Base-Backbone interact. energy: -0.000 local terms energy: -29.780790 where: bonds (distance) C4'-P energy: -7.807 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -1.307 tors. eta vs tors. theta energy: -7.033 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: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -49.365535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.365535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.365535 (E_RNA) where: Base-Base interactions energy: -23.487 where: short stacking energy: -19.653 Base-Backbone interact. energy: 1.508 local terms energy: -27.386614 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -3.324 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -40.497076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.497076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.497076 (E_RNA) where: Base-Base interactions energy: -14.273 where: short stacking energy: -12.488 Base-Backbone interact. energy: -0.319 local terms energy: -25.905206 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -2.828 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: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -58.217240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.217240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.217240 (E_RNA) where: Base-Base interactions energy: -28.170 where: short stacking energy: -21.977 Base-Backbone interact. energy: -0.004 local terms energy: -30.042624 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -65.524686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.524686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.524686 (E_RNA) where: Base-Base interactions energy: -26.811 where: short stacking energy: -26.811 Base-Backbone interact. energy: -0.000 local terms energy: -38.713433 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -9.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -57.933726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.933726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.933726 (E_RNA) where: Base-Base interactions energy: -21.630 where: short stacking energy: -21.630 Base-Backbone interact. energy: -0.000 local terms energy: -36.304012 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.967 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -49.175665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.175665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.175665 (E_RNA) where: Base-Base interactions energy: -16.196 where: short stacking energy: -16.196 Base-Backbone interact. energy: -0.001 local terms energy: -32.979173 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -58.673840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.673840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.673840 (E_RNA) where: Base-Base interactions energy: -28.466 where: short stacking energy: -23.525 Base-Backbone interact. energy: -0.000 local terms energy: -30.207199 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -55.094454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.094454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.094454 (E_RNA) where: Base-Base interactions energy: -20.699 where: short stacking energy: -20.664 Base-Backbone interact. energy: -0.072 local terms energy: -34.323572 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -9.225 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -52.083826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.083826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.083826 (E_RNA) where: Base-Base interactions energy: -24.729 where: short stacking energy: -21.204 Base-Backbone interact. energy: -0.012 local terms energy: -27.342894 where: bonds (distance) C4'-P energy: -4.500 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -43.263568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.263568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.263568 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.016 local terms energy: -31.539016 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -5.094 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: 9, replica: 5 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -46.087062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.087062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.087062 (E_RNA) where: Base-Base interactions energy: -18.862 where: short stacking energy: -18.862 Base-Backbone interact. energy: -0.002 local terms energy: -27.223018 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -2.819 flat angles P-C4'-P energy: -4.264 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: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -39.298340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.298340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.298340 (E_RNA) where: Base-Base interactions energy: -14.447 where: short stacking energy: -14.447 Base-Backbone interact. energy: -0.101 local terms energy: -24.749866 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -2.517 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -72.941283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.941283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.941283 (E_RNA) where: Base-Base interactions energy: -37.192 where: short stacking energy: -26.526 Base-Backbone interact. energy: -0.101 local terms energy: -35.647951 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -9.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -65.342623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.342623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.342623 (E_RNA) where: Base-Base interactions energy: -37.209 where: short stacking energy: -10.990 Base-Backbone interact. energy: -0.492 local terms energy: -27.641925 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: 1.103 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: 9 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -57.696649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.696649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.696649 (E_RNA) where: Base-Base interactions energy: -25.336 where: short stacking energy: -25.336 Base-Backbone interact. energy: -0.003 local terms energy: -32.357873 where: bonds (distance) C4'-P energy: -7.646 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -6.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -54.648180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.648180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.648180 (E_RNA) where: Base-Base interactions energy: -21.842 where: short stacking energy: -21.842 Base-Backbone interact. energy: -0.027 local terms energy: -32.779612 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -3.454 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: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -57.525674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.525674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.525674 (E_RNA) where: Base-Base interactions energy: -23.540 where: short stacking energy: -23.540 Base-Backbone interact. energy: -0.004 local terms energy: -33.981961 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -6.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -50.075698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.075698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.075698 (E_RNA) where: Base-Base interactions energy: -21.944 where: short stacking energy: -21.944 Base-Backbone interact. energy: -0.001 local terms energy: -28.131658 where: bonds (distance) C4'-P energy: -2.396 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -6.173 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: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -47.507244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.507244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.507244 (E_RNA) where: Base-Base interactions energy: -23.558 where: short stacking energy: -23.558 Base-Backbone interact. energy: -0.456 local terms energy: -23.493356 where: bonds (distance) C4'-P energy: -4.000 bonds (distance) P-C4' energy: -7.077 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -1.087 tors. eta vs tors. theta energy: -4.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -42.930900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.930900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.930900 (E_RNA) where: Base-Base interactions energy: -13.666 where: short stacking energy: -13.666 Base-Backbone interact. energy: -0.008 local terms energy: -29.256898 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -50.032835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.032835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.032835 (E_RNA) where: Base-Base interactions energy: -21.730 where: short stacking energy: -21.730 Base-Backbone interact. energy: -0.001 local terms energy: -28.302425 where: bonds (distance) C4'-P energy: -2.306 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -4.311 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: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -39.332128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.332128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.332128 (E_RNA) where: Base-Base interactions energy: -11.979 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.114 local terms energy: -27.238687 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -67.305485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.305485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.305485 (E_RNA) where: Base-Base interactions energy: -39.410 where: short stacking energy: -28.115 Base-Backbone interact. energy: -0.002 local terms energy: -27.893819 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -0.640 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -66.717961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.717961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.717961 (E_RNA) where: Base-Base interactions energy: -32.923 where: short stacking energy: -20.343 Base-Backbone interact. energy: -0.520 local terms energy: -33.275865 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -6.488 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: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -65.577589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.577589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.577589 (E_RNA) where: Base-Base interactions energy: -29.294 where: short stacking energy: -29.294 Base-Backbone interact. energy: -0.003 local terms energy: -36.280435 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -7.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -50.784676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.784676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.784676 (E_RNA) where: Base-Base interactions energy: -16.461 where: short stacking energy: -16.461 Base-Backbone interact. energy: -0.025 local terms energy: -34.298666 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.772 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: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -59.923115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.923115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.923115 (E_RNA) where: Base-Base interactions energy: -24.516 where: short stacking energy: -24.516 Base-Backbone interact. energy: -0.017 local terms energy: -35.389877 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -8.609 flat angles P-C4'-P energy: -5.638 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: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -48.596992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.596992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.596992 (E_RNA) where: Base-Base interactions energy: -21.649 where: short stacking energy: -21.649 Base-Backbone interact. energy: -0.058 local terms energy: -26.890510 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -1.777 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -3.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -61.560805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.560805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.560805 (E_RNA) where: Base-Base interactions energy: -30.643 where: short stacking energy: -30.596 Base-Backbone interact. energy: -0.000 local terms energy: -30.917326 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: 0.119 tors. eta vs tors. theta energy: -9.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -45.993612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.993612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.993612 (E_RNA) where: Base-Base interactions energy: -19.563 where: short stacking energy: -12.571 Base-Backbone interact. energy: -0.127 local terms energy: -26.304168 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -0.727 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: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -39.242851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.242851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.242851 (E_RNA) where: Base-Base interactions energy: -15.282 where: short stacking energy: -15.017 Base-Backbone interact. energy: -0.034 local terms energy: -23.926585 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -6.317 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -39.333276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.333276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.333276 (E_RNA) where: Base-Base interactions energy: -17.204 where: short stacking energy: -1.298 Base-Backbone interact. energy: -0.602 local terms energy: -21.527699 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -6.027 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: 0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -78.188469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.188469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.188469 (E_RNA) where: Base-Base interactions energy: -41.686 where: short stacking energy: -25.541 Base-Backbone interact. energy: -0.001 local terms energy: -36.501603 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -8.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -59.581221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.581221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.581221 (E_RNA) where: Base-Base interactions energy: -25.397 where: short stacking energy: -21.405 Base-Backbone interact. energy: -0.046 local terms energy: -34.138004 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -60.021948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.021948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.021948 (E_RNA) where: Base-Base interactions energy: -24.652 where: short stacking energy: -24.652 Base-Backbone interact. energy: -0.000 local terms energy: -35.369285 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -6.214 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: 4, replica: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -49.502826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.502826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.502826 (E_RNA) where: Base-Base interactions energy: -18.497 where: short stacking energy: -15.536 Base-Backbone interact. energy: -0.058 local terms energy: -30.947760 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -5.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -52.648964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.648964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.648964 (E_RNA) where: Base-Base interactions energy: -18.949 where: short stacking energy: -18.949 Base-Backbone interact. energy: -0.017 local terms energy: -33.682839 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -60.012341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.012341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.012341 (E_RNA) where: Base-Base interactions energy: -36.120 where: short stacking energy: -29.017 Base-Backbone interact. energy: -0.072 local terms energy: -23.820961 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -5.775 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: 0.292 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: 7, replica: 1 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -46.681236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.681236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.681236 (E_RNA) where: Base-Base interactions energy: -19.460 where: short stacking energy: -19.460 Base-Backbone interact. energy: -0.001 local terms energy: -27.220181 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: -4.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -44.213477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.213477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.213477 (E_RNA) where: Base-Base interactions energy: -15.481 where: short stacking energy: -15.481 Base-Backbone interact. energy: -0.080 local terms energy: -28.652620 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -51.461253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.461253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.461253 (E_RNA) where: Base-Base interactions energy: -28.686 where: short stacking energy: -19.629 Base-Backbone interact. energy: -0.031 local terms energy: -22.744143 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -4.191 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -44.949261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.949261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.949261 (E_RNA) where: Base-Base interactions energy: -17.274 where: short stacking energy: -9.200 Base-Backbone interact. energy: -0.007 local terms energy: -27.667785 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -65.096231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.096231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.096231 (E_RNA) where: Base-Base interactions energy: -26.706 where: short stacking energy: -26.706 Base-Backbone interact. energy: -0.000 local terms energy: -38.390292 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -8.933 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: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -66.390178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.390178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.390178 (E_RNA) where: Base-Base interactions energy: -27.079 where: short stacking energy: -22.843 Base-Backbone interact. energy: -0.001 local terms energy: -39.309321 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -52.230077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.230077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.230077 (E_RNA) where: Base-Base interactions energy: -21.640 where: short stacking energy: -21.361 Base-Backbone interact. energy: -0.066 local terms energy: -30.524595 where: bonds (distance) C4'-P energy: -5.068 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -53.168063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.168063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.168063 (E_RNA) where: Base-Base interactions energy: -21.903 where: short stacking energy: -21.903 Base-Backbone interact. energy: -0.024 local terms energy: -31.241062 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -55.259355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.259355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.259355 (E_RNA) where: Base-Base interactions energy: -23.212 where: short stacking energy: -23.212 Base-Backbone interact. energy: -0.006 local terms energy: -32.041671 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -52.179792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.179792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.179792 (E_RNA) where: Base-Base interactions energy: -22.683 where: short stacking energy: -22.683 Base-Backbone interact. energy: -0.000 local terms energy: -29.496672 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -1.825 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -42.744734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.744734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.744734 (E_RNA) where: Base-Base interactions energy: -16.012 where: short stacking energy: -16.012 Base-Backbone interact. energy: -0.000 local terms energy: -26.732403 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -4.401 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -46.627125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.627125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.627125 (E_RNA) where: Base-Base interactions energy: -16.792 where: short stacking energy: -16.792 Base-Backbone interact. energy: -0.001 local terms energy: -29.834715 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -4.446 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: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -45.845080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.845080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.845080 (E_RNA) where: Base-Base interactions energy: -18.851 where: short stacking energy: -11.638 Base-Backbone interact. energy: -0.002 local terms energy: -26.991857 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -34.402400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.402400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.402400 (E_RNA) where: Base-Base interactions energy: -12.729 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.006 local terms energy: -21.667305 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -7.299 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -69.333355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.333355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.333355 (E_RNA) where: Base-Base interactions energy: -34.445 where: short stacking energy: -34.445 Base-Backbone interact. energy: -0.003 local terms energy: -34.885904 where: bonds (distance) C4'-P energy: -7.592 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -8.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -70.079206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.079206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.079206 (E_RNA) where: Base-Base interactions energy: -31.751 where: short stacking energy: -31.751 Base-Backbone interact. energy: -0.000 local terms energy: -38.328465 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.826 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -9.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -52.388371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.388371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.388371 (E_RNA) where: Base-Base interactions energy: -20.837 where: short stacking energy: -16.666 Base-Backbone interact. energy: -0.143 local terms energy: -31.408838 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -66.941553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.941553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.941553 (E_RNA) where: Base-Base interactions energy: -35.639 where: short stacking energy: -19.726 Base-Backbone interact. energy: -0.081 local terms energy: -31.221116 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -4.678 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: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -55.319939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.319939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.319939 (E_RNA) where: Base-Base interactions energy: -20.235 where: short stacking energy: -20.235 Base-Backbone interact. energy: -0.000 local terms energy: -35.084540 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -1.640 tors. eta vs tors. theta energy: -8.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -49.754768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.754768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.754768 (E_RNA) where: Base-Base interactions energy: -20.902 where: short stacking energy: -20.902 Base-Backbone interact. energy: -0.016 local terms energy: -28.836599 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -1.411 tors. eta vs tors. theta energy: -2.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -48.558319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.558319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.558319 (E_RNA) where: Base-Base interactions energy: -20.061 where: short stacking energy: -18.847 Base-Backbone interact. energy: -0.089 local terms energy: -28.407982 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -45.948914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.948914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.948914 (E_RNA) where: Base-Base interactions energy: -21.362 where: short stacking energy: -21.362 Base-Backbone interact. energy: -0.002 local terms energy: -24.585346 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -0.038 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -41.357036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.357036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.357036 (E_RNA) where: Base-Base interactions energy: -17.914 where: short stacking energy: -10.810 Base-Backbone interact. energy: 0.018 local terms energy: -23.460964 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -7.483 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: 2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -44.149831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.149831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.149831 (E_RNA) where: Base-Base interactions energy: -17.365 where: short stacking energy: -17.365 Base-Backbone interact. energy: 1.899 local terms energy: -28.682964 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -6.264 tors. eta vs tors. theta energy: -5.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -62.331745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.331745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.331745 (E_RNA) where: Base-Base interactions energy: -30.277 where: short stacking energy: -17.692 Base-Backbone interact. energy: 0.444 local terms energy: -32.498321 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -71.920132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.920132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.920132 (E_RNA) where: Base-Base interactions energy: -38.671 where: short stacking energy: -28.778 Base-Backbone interact. energy: -0.179 local terms energy: -33.070710 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -5.768 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: 3, replica: 10 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -59.687306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.687306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.687306 (E_RNA) where: Base-Base interactions energy: -24.810 where: short stacking energy: -24.810 Base-Backbone interact. energy: -0.004 local terms energy: -34.873681 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -7.542 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -7.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -51.067500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.067500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.067500 (E_RNA) where: Base-Base interactions energy: -21.408 where: short stacking energy: -15.684 Base-Backbone interact. energy: -0.079 local terms energy: -29.580975 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -61.761815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.761815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.761815 (E_RNA) where: Base-Base interactions energy: -27.984 where: short stacking energy: -27.984 Base-Backbone interact. energy: -0.000 local terms energy: -33.777228 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: -9.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -58.057442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.057442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.057442 (E_RNA) where: Base-Base interactions energy: -20.886 where: short stacking energy: -20.886 Base-Backbone interact. energy: -0.002 local terms energy: -37.169545 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: -6.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -47.360352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.360352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.360352 (E_RNA) where: Base-Base interactions energy: -21.527 where: short stacking energy: -17.239 Base-Backbone interact. energy: -0.050 local terms energy: -25.783871 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.102 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -1.857 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: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -42.886055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.886055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.886055 (E_RNA) where: Base-Base interactions energy: -13.965 where: short stacking energy: -13.965 Base-Backbone interact. energy: -0.052 local terms energy: -28.868768 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -47.499190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.499190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.499190 (E_RNA) where: Base-Base interactions energy: -12.759 where: short stacking energy: -12.759 Base-Backbone interact. energy: -0.081 local terms energy: -34.658481 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -5.670 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: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -42.402961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.402961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.402961 (E_RNA) where: Base-Base interactions energy: -15.106 where: short stacking energy: -10.848 Base-Backbone interact. energy: -1.184 local terms energy: -26.112585 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -3.207 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: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -55.666237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.666237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.666237 (E_RNA) where: Base-Base interactions energy: -23.844 where: short stacking energy: -17.183 Base-Backbone interact. energy: 0.301 local terms energy: -32.123394 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -6.794 tors. eta vs tors. theta energy: -1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -65.725001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.725001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.725001 (E_RNA) where: Base-Base interactions energy: -27.453 where: short stacking energy: -27.453 Base-Backbone interact. energy: -0.000 local terms energy: -38.271656 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -6.643 tors. eta vs tors. theta energy: -8.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -64.452096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.452096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.452096 (E_RNA) where: Base-Base interactions energy: -26.928 where: short stacking energy: -25.360 Base-Backbone interact. energy: -0.000 local terms energy: -37.523777 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -5.173 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: 4, replica: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -65.143183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.143183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.143183 (E_RNA) where: Base-Base interactions energy: -29.506 where: short stacking energy: -29.506 Base-Backbone interact. energy: -0.000 local terms energy: -35.637231 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -9.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -51.336591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.336591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.336591 (E_RNA) where: Base-Base interactions energy: -18.144 where: short stacking energy: -18.144 Base-Backbone interact. energy: 0.032 local terms energy: -33.225022 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -7.138 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -5.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -49.405162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.405162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.405162 (E_RNA) where: Base-Base interactions energy: -18.248 where: short stacking energy: -18.248 Base-Backbone interact. energy: -0.012 local terms energy: -31.145489 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -48.744118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.744118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.744118 (E_RNA) where: Base-Base interactions energy: -19.294 where: short stacking energy: -19.294 Base-Backbone interact. energy: -0.010 local terms energy: -29.440149 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -3.046 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: 8, replica: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -41.572173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.572173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.572173 (E_RNA) where: Base-Base interactions energy: -15.654 where: short stacking energy: -15.654 Base-Backbone interact. energy: -0.072 local terms energy: -25.846154 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -43.961743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.961743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.961743 (E_RNA) where: Base-Base interactions energy: -15.445 where: short stacking energy: -15.445 Base-Backbone interact. energy: -0.063 local terms energy: -28.453275 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -4.314 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: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -42.574247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.574247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.574247 (E_RNA) where: Base-Base interactions energy: -11.291 where: short stacking energy: -11.291 Base-Backbone interact. energy: -0.010 local terms energy: -31.273120 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -3.035 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: 116 Temperature: 0.900000 Total energy: -68.390557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.390557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.390557 (E_RNA) where: Base-Base interactions energy: -32.049 where: short stacking energy: -32.049 Base-Backbone interact. energy: -0.004 local terms energy: -36.337737 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -8.559 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: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -66.034414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.034414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.034414 (E_RNA) where: Base-Base interactions energy: -29.790 where: short stacking energy: -25.522 Base-Backbone interact. energy: -0.000 local terms energy: -36.243989 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -5.632 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: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -48.838873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.838873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.838873 (E_RNA) where: Base-Base interactions energy: -21.209 where: short stacking energy: -12.343 Base-Backbone interact. energy: -0.002 local terms energy: -27.628263 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -0.454 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -61.608294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.608294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.608294 (E_RNA) where: Base-Base interactions energy: -27.105 where: short stacking energy: -27.105 Base-Backbone interact. energy: -0.002 local terms energy: -34.500529 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -8.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -48.291088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.291088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.291088 (E_RNA) where: Base-Base interactions energy: -19.667 where: short stacking energy: -19.667 Base-Backbone interact. energy: -0.013 local terms energy: -28.611054 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -60.100638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.100638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.100638 (E_RNA) where: Base-Base interactions energy: -23.858 where: short stacking energy: -23.858 Base-Backbone interact. energy: -0.004 local terms energy: -36.238172 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -7.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -56.472965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.472965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.472965 (E_RNA) where: Base-Base interactions energy: -25.810 where: short stacking energy: -26.010 Base-Backbone interact. energy: -0.002 local terms energy: -30.661483 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -6.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -46.025376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.025376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.025376 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -13.410 Base-Backbone interact. energy: -0.000 local terms energy: -32.615337 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -50.217870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.217870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.217870 (E_RNA) where: Base-Base interactions energy: -21.713 where: short stacking energy: -21.713 Base-Backbone interact. energy: -0.001 local terms energy: -28.504012 where: bonds (distance) C4'-P energy: -4.312 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -46.735515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.735515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.735515 (E_RNA) where: Base-Base interactions energy: -13.116 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.118 local terms energy: -33.501186 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -5.206 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: 1, replica: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -68.689060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.689060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.689060 (E_RNA) where: Base-Base interactions energy: -30.656 where: short stacking energy: -30.656 Base-Backbone interact. energy: -0.000 local terms energy: -38.033329 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -8.704 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -9.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -65.919243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.919243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.919243 (E_RNA) where: Base-Base interactions energy: -29.383 where: short stacking energy: -28.616 Base-Backbone interact. energy: -0.000 local terms energy: -36.536414 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -4.517 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: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -54.739025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.739025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.739025 (E_RNA) where: Base-Base interactions energy: -23.708 where: short stacking energy: -16.456 Base-Backbone interact. energy: -0.099 local terms energy: -30.931584 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -0.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -53.125198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.125198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.125198 (E_RNA) where: Base-Base interactions energy: -21.200 where: short stacking energy: -20.372 Base-Backbone interact. energy: -0.099 local terms energy: -31.826534 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -5.843 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: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -51.231577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.231577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.231577 (E_RNA) where: Base-Base interactions energy: -23.118 where: short stacking energy: -23.118 Base-Backbone interact. energy: -0.016 local terms energy: -28.097248 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -58.512312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.512312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.512312 (E_RNA) where: Base-Base interactions energy: -25.194 where: short stacking energy: -24.822 Base-Backbone interact. energy: -0.011 local terms energy: -33.307167 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -6.172 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: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -48.105624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.105624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.105624 (E_RNA) where: Base-Base interactions energy: -16.583 where: short stacking energy: -16.583 Base-Backbone interact. energy: -0.196 local terms energy: -31.327056 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -40.229444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.229444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.229444 (E_RNA) where: Base-Base interactions energy: -15.072 where: short stacking energy: -15.015 Base-Backbone interact. energy: -0.069 local terms energy: -25.088214 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -1.019 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: 9, replica: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -47.932799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.932799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.932799 (E_RNA) where: Base-Base interactions energy: -23.705 where: short stacking energy: -17.591 Base-Backbone interact. energy: -0.043 local terms energy: -24.184787 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -55.699138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.699138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.699138 (E_RNA) where: Base-Base interactions energy: -24.642 where: short stacking energy: -24.642 Base-Backbone interact. energy: -0.000 local terms energy: -31.056512 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -6.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -69.822252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.822252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.822252 (E_RNA) where: Base-Base interactions energy: -30.295 where: short stacking energy: -25.733 Base-Backbone interact. energy: -0.000 local terms energy: -39.527122 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -7.113 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: 2, replica: 10 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -61.509368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.509368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.509368 (E_RNA) where: Base-Base interactions energy: -24.715 where: short stacking energy: -24.715 Base-Backbone interact. energy: -0.043 local terms energy: -36.751489 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -7.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -62.561326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.561326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.561326 (E_RNA) where: Base-Base interactions energy: -27.321 where: short stacking energy: -27.321 Base-Backbone interact. energy: -0.232 local terms energy: -35.008533 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -7.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -53.479495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.479495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.479495 (E_RNA) where: Base-Base interactions energy: -19.390 where: short stacking energy: -19.390 Base-Backbone interact. energy: -0.010 local terms energy: -34.079832 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -7.464 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: 7 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -53.525557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.525557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.525557 (E_RNA) where: Base-Base interactions energy: -16.466 where: short stacking energy: -16.442 Base-Backbone interact. energy: -0.067 local terms energy: -36.992502 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -49.074960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.074960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.074960 (E_RNA) where: Base-Base interactions energy: -18.359 where: short stacking energy: -18.359 Base-Backbone interact. energy: -0.097 local terms energy: -30.619683 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -5.560 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: 7, replica: 2 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -43.318897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.318897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.318897 (E_RNA) where: Base-Base interactions energy: -14.987 where: short stacking energy: -14.987 Base-Backbone interact. energy: -0.004 local terms energy: -28.327767 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -3.921 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: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -45.119443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.119443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.119443 (E_RNA) where: Base-Base interactions energy: -15.571 where: short stacking energy: -15.571 Base-Backbone interact. energy: -0.001 local terms energy: -29.546807 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -5.519 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: 9, replica: 5 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -41.086736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.086736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.086736 (E_RNA) where: Base-Base interactions energy: -11.409 where: short stacking energy: -11.409 Base-Backbone interact. energy: -0.020 local terms energy: -29.658166 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -2.629 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: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -38.531371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.531371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.531371 (E_RNA) where: Base-Base interactions energy: -9.802 where: short stacking energy: -9.802 Base-Backbone interact. energy: -1.018 local terms energy: -27.711040 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -73.666069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.666069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.666069 (E_RNA) where: Base-Base interactions energy: -35.445 where: short stacking energy: -35.445 Base-Backbone interact. energy: -0.000 local terms energy: -38.220887 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -8.577 flat angles P-C4'-P energy: -4.549 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: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -63.367021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.367021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.367021 (E_RNA) where: Base-Base interactions energy: -27.518 where: short stacking energy: -27.518 Base-Backbone interact. energy: -0.000 local terms energy: -35.848607 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -62.433770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.433770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.433770 (E_RNA) where: Base-Base interactions energy: -29.116 where: short stacking energy: -24.213 Base-Backbone interact. energy: -1.804 local terms energy: -31.513695 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -3.498 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: 4, replica: 7 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -56.548691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.548691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.548691 (E_RNA) where: Base-Base interactions energy: -28.460 where: short stacking energy: -13.087 Base-Backbone interact. energy: 0.585 local terms energy: -28.673788 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -47.606272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.606272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.606272 (E_RNA) where: Base-Base interactions energy: -16.666 where: short stacking energy: -16.666 Base-Backbone interact. energy: -0.004 local terms energy: -30.936009 where: bonds (distance) C4'-P energy: -5.101 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -54.058177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.058177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.058177 (E_RNA) where: Base-Base interactions energy: -19.021 where: short stacking energy: -19.021 Base-Backbone interact. energy: -0.000 local terms energy: -35.037040 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -9.271 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -48.668102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.668102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.668102 (E_RNA) where: Base-Base interactions energy: -16.636 where: short stacking energy: -16.636 Base-Backbone interact. energy: -0.058 local terms energy: -31.974100 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -5.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -45.423682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.423682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.423682 (E_RNA) where: Base-Base interactions energy: -17.526 where: short stacking energy: -17.024 Base-Backbone interact. energy: -0.001 local terms energy: -27.896445 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -1.833 tors. eta vs tors. theta energy: -4.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -42.807470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.807470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.807470 (E_RNA) where: Base-Base interactions energy: -14.022 where: short stacking energy: -14.022 Base-Backbone interact. energy: -0.120 local terms energy: -28.665629 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.041 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -44.528131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.528131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.528131 (E_RNA) where: Base-Base interactions energy: -14.778 where: short stacking energy: -15.878 Base-Backbone interact. energy: -0.066 local terms energy: -29.684664 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -56.401475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.401475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.401475 (E_RNA) where: Base-Base interactions energy: -20.008 where: short stacking energy: -20.008 Base-Backbone interact. energy: -0.033 local terms energy: -36.360900 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -5.710 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: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -64.564826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.564826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.564826 (E_RNA) where: Base-Base interactions energy: -31.122 where: short stacking energy: -31.122 Base-Backbone interact. energy: -0.000 local terms energy: -33.442752 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -8.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -60.458094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.458094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.458094 (E_RNA) where: Base-Base interactions energy: -22.827 where: short stacking energy: -22.827 Base-Backbone interact. energy: -0.000 local terms energy: -37.630551 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -59.907628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.907628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.907628 (E_RNA) where: Base-Base interactions energy: -33.985 where: short stacking energy: -17.298 Base-Backbone interact. energy: -0.171 local terms energy: -25.751703 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -2.385 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: 120 Temperature: 1.100000 Total energy: -50.745905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.745905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.745905 (E_RNA) where: Base-Base interactions energy: -21.158 where: short stacking energy: -21.023 Base-Backbone interact. energy: -0.010 local terms energy: -29.577513 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -2.008 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -48.649178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.649178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.649178 (E_RNA) where: Base-Base interactions energy: -21.507 where: short stacking energy: -20.534 Base-Backbone interact. energy: -0.023 local terms energy: -27.119289 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -55.739341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.739341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.739341 (E_RNA) where: Base-Base interactions energy: -22.845 where: short stacking energy: -21.877 Base-Backbone interact. energy: -0.076 local terms energy: -32.818820 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -3.933 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: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -49.041744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.041744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.041744 (E_RNA) where: Base-Base interactions energy: -21.628 where: short stacking energy: -12.558 Base-Backbone interact. energy: -0.161 local terms energy: -27.252764 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -2.673 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: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -48.089808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.089808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.089808 (E_RNA) where: Base-Base interactions energy: -16.723 where: short stacking energy: -16.723 Base-Backbone interact. energy: -0.019 local terms energy: -31.347652 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -40.809218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.809218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.809218 (E_RNA) where: Base-Base interactions energy: -17.827 where: short stacking energy: -17.827 Base-Backbone interact. energy: -0.001 local terms energy: -22.981266 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -5.235 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -4.196 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: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -72.471405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.471405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.471405 (E_RNA) where: Base-Base interactions energy: -33.050 where: short stacking energy: -33.050 Base-Backbone interact. energy: -0.000 local terms energy: -39.421785 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -8.939 flat angles P-C4'-P energy: -4.657 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: 2, replica: 7 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -73.183340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.183340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.183340 (E_RNA) where: Base-Base interactions energy: -32.901 where: short stacking energy: -32.901 Base-Backbone interact. energy: -0.000 local terms energy: -40.281938 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -6.187 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: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -64.901804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.901804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.901804 (E_RNA) where: Base-Base interactions energy: -30.394 where: short stacking energy: -30.394 Base-Backbone interact. energy: -0.000 local terms energy: -34.508177 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -71.500640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.500640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.500640 (E_RNA) where: Base-Base interactions energy: -37.262 where: short stacking energy: -19.619 Base-Backbone interact. energy: 0.384 local terms energy: -34.622032 where: bonds (distance) C4'-P energy: -4.153 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.187 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -6.258 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: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -51.773621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.773621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.773621 (E_RNA) where: Base-Base interactions energy: -22.042 where: short stacking energy: -22.042 Base-Backbone interact. energy: -0.001 local terms energy: -29.729990 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -6.461 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -47.426157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.426157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.426157 (E_RNA) where: Base-Base interactions energy: -17.567 where: short stacking energy: -13.169 Base-Backbone interact. energy: 0.236 local terms energy: -30.095875 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -5.031 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: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -71.704662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.704662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.704662 (E_RNA) where: Base-Base interactions energy: -36.778 where: short stacking energy: -23.425 Base-Backbone interact. energy: -0.005 local terms energy: -34.921904 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -8.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -48.979237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.979237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.979237 (E_RNA) where: Base-Base interactions energy: -22.379 where: short stacking energy: -21.576 Base-Backbone interact. energy: -0.009 local terms energy: -26.591884 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -5.178 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -50.332297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.332297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.332297 (E_RNA) where: Base-Base interactions energy: -19.559 where: short stacking energy: -17.224 Base-Backbone interact. energy: -0.000 local terms energy: -30.773596 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -36.158691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.158691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.158691 (E_RNA) where: Base-Base interactions energy: -9.507 where: short stacking energy: -8.947 Base-Backbone interact. energy: -0.001 local terms energy: -26.650725 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -2.331 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: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -66.088583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.088583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.088583 (E_RNA) where: Base-Base interactions energy: -30.807 where: short stacking energy: -20.248 Base-Backbone interact. energy: -0.001 local terms energy: -35.280559 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -4.671 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: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -59.754804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.754804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.754804 (E_RNA) where: Base-Base interactions energy: -24.521 where: short stacking energy: -24.521 Base-Backbone interact. energy: -0.001 local terms energy: -35.233138 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -4.245 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: 3, replica: 10 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -53.436510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.436510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.436510 (E_RNA) where: Base-Base interactions energy: -20.119 where: short stacking energy: -20.119 Base-Backbone interact. energy: -0.001 local terms energy: -33.316514 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -6.048 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: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -67.875864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.875864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.875864 (E_RNA) where: Base-Base interactions energy: -29.947 where: short stacking energy: -29.947 Base-Backbone interact. energy: -0.000 local terms energy: -37.929165 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -10.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -60.495561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.495561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.495561 (E_RNA) where: Base-Base interactions energy: -26.347 where: short stacking energy: -25.534 Base-Backbone interact. energy: -0.000 local terms energy: -34.147730 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -5.697 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: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -40.845491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.845491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.845491 (E_RNA) where: Base-Base interactions energy: -14.853 where: short stacking energy: -10.502 Base-Backbone interact. energy: -0.013 local terms energy: -25.978906 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -47.430524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.430524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.430524 (E_RNA) where: Base-Base interactions energy: -13.673 where: short stacking energy: -13.673 Base-Backbone interact. energy: -0.158 local terms energy: -33.598844 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.468 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -4.951 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: 8, replica: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -50.287864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.287864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.287864 (E_RNA) where: Base-Base interactions energy: -24.300 where: short stacking energy: -16.773 Base-Backbone interact. energy: -0.008 local terms energy: -25.979915 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -47.224570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.224570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.224570 (E_RNA) where: Base-Base interactions energy: -20.022 where: short stacking energy: -20.022 Base-Backbone interact. energy: -0.155 local terms energy: -27.047112 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -6.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -44.147526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.147526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.147526 (E_RNA) where: Base-Base interactions energy: -17.699 where: short stacking energy: -17.205 Base-Backbone interact. energy: 0.108 local terms energy: -26.555891 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -73.153567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.153567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.153567 (E_RNA) where: Base-Base interactions energy: -49.430 where: short stacking energy: -18.594 Base-Backbone interact. energy: -0.106 local terms energy: -23.617388 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -1.438 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -57.492862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.492862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.492862 (E_RNA) where: Base-Base interactions energy: -24.610 where: short stacking energy: -24.131 Base-Backbone interact. energy: -0.009 local terms energy: -32.874508 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -59.232533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.232533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.232533 (E_RNA) where: Base-Base interactions energy: -22.934 where: short stacking energy: -22.934 Base-Backbone interact. energy: -0.001 local terms energy: -36.297093 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -5.289 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: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -50.714976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.714976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.714976 (E_RNA) where: Base-Base interactions energy: -22.854 where: short stacking energy: -18.007 Base-Backbone interact. energy: -0.090 local terms energy: -27.771626 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -3.692 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: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -48.720223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.720223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.720223 (E_RNA) where: Base-Base interactions energy: -23.794 where: short stacking energy: -16.662 Base-Backbone interact. energy: -0.054 local terms energy: -24.872339 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -3.632 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: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -53.666187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.666187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.666187 (E_RNA) where: Base-Base interactions energy: -25.720 where: short stacking energy: -13.656 Base-Backbone interact. energy: -0.011 local terms energy: -27.935049 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -6.280 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -47.756341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.756341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.756341 (E_RNA) where: Base-Base interactions energy: -21.533 where: short stacking energy: -21.533 Base-Backbone interact. energy: -0.054 local terms energy: -26.169260 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -50.499394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.499394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.499394 (E_RNA) where: Base-Base interactions energy: -22.819 where: short stacking energy: -19.499 Base-Backbone interact. energy: -0.000 local terms energy: -27.680266 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -6.168 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.228 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: 9, replica: 5 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -49.645631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.645631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.645631 (E_RNA) where: Base-Base interactions energy: -21.944 where: short stacking energy: -20.557 Base-Backbone interact. energy: -0.049 local terms energy: -27.652678 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -42.595554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.595554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.595554 (E_RNA) where: Base-Base interactions energy: -15.778 where: short stacking energy: -15.778 Base-Backbone interact. energy: -0.082 local terms energy: -26.735395 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -2.447 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: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -67.860015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.860015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.860015 (E_RNA) where: Base-Base interactions energy: -28.171 where: short stacking energy: -28.171 Base-Backbone interact. energy: -0.000 local terms energy: -39.688774 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.511 flat angles P-C4'-P energy: -5.770 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: 2, replica: 7 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -76.719435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.719435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.719435 (E_RNA) where: Base-Base interactions energy: -38.117 where: short stacking energy: -24.421 Base-Backbone interact. energy: -0.001 local terms energy: -38.601145 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -4.885 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: 3, replica: 10 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -62.289159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.289159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.289159 (E_RNA) where: Base-Base interactions energy: -24.252 where: short stacking energy: -24.252 Base-Backbone interact. energy: -0.000 local terms energy: -38.037236 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -5.190 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: 4, replica: 9 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -64.195363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.195363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.195363 (E_RNA) where: Base-Base interactions energy: -29.659 where: short stacking energy: -29.659 Base-Backbone interact. energy: -0.001 local terms energy: -34.535126 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -6.196 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: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -62.593272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.593272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.593272 (E_RNA) where: Base-Base interactions energy: -28.827 where: short stacking energy: -21.636 Base-Backbone interact. energy: 0.063 local terms energy: -33.829939 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -45.136095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.136095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.136095 (E_RNA) where: Base-Base interactions energy: -17.853 where: short stacking energy: -16.042 Base-Backbone interact. energy: -0.041 local terms energy: -27.242381 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -1.813 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -46.078361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.078361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.078361 (E_RNA) where: Base-Base interactions energy: -17.452 where: short stacking energy: -17.452 Base-Backbone interact. energy: -0.008 local terms energy: -28.618432 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -2.481 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: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -58.648418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.648418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.648418 (E_RNA) where: Base-Base interactions energy: -29.474 where: short stacking energy: -22.283 Base-Backbone interact. energy: -0.004 local terms energy: -29.170258 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -40.934326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.934326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.934326 (E_RNA) where: Base-Base interactions energy: -16.104 where: short stacking energy: -16.104 Base-Backbone interact. energy: -0.098 local terms energy: -24.731796 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.363 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: 10, replica: 5 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -46.029845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.029845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.029845 (E_RNA) where: Base-Base interactions energy: -16.495 where: short stacking energy: -16.495 Base-Backbone interact. energy: -0.058 local terms energy: -29.476719 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -5.914 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -4.691 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: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -63.956272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.956272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.956272 (E_RNA) where: Base-Base interactions energy: -28.579 where: short stacking energy: -21.941 Base-Backbone interact. energy: -0.000 local terms energy: -35.376714 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -6.681 tors. eta vs tors. theta energy: -5.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -79.564224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.564224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.564224 (E_RNA) where: Base-Base interactions energy: -41.629 where: short stacking energy: -27.842 Base-Backbone interact. energy: -0.001 local terms energy: -37.934687 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -53.450395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.450395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.450395 (E_RNA) where: Base-Base interactions energy: -21.559 where: short stacking energy: -21.559 Base-Backbone interact. energy: -0.101 local terms energy: -31.790022 where: bonds (distance) C4'-P energy: -7.303 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -57.145661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.145661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.145661 (E_RNA) where: Base-Base interactions energy: -23.278 where: short stacking energy: -23.278 Base-Backbone interact. energy: -0.004 local terms energy: -33.864011 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -5.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -53.681702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.681702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.681702 (E_RNA) where: Base-Base interactions energy: -21.506 where: short stacking energy: -21.506 Base-Backbone interact. energy: -0.008 local terms energy: -32.167716 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -5.045 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: 6, replica: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -58.716452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.716452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.716452 (E_RNA) where: Base-Base interactions energy: -29.994 where: short stacking energy: -17.107 Base-Backbone interact. energy: -0.066 local terms energy: -28.656772 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -8.260 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -47.953544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.953544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.953544 (E_RNA) where: Base-Base interactions energy: -17.976 where: short stacking energy: -17.976 Base-Backbone interact. energy: -0.000 local terms energy: -29.977275 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -53.892352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.892352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.892352 (E_RNA) where: Base-Base interactions energy: -21.962 where: short stacking energy: -16.685 Base-Backbone interact. energy: -0.100 local terms energy: -31.829718 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -7.302 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -39.114003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.114003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.114003 (E_RNA) where: Base-Base interactions energy: -14.132 where: short stacking energy: -12.919 Base-Backbone interact. energy: -0.019 local terms energy: -24.962993 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -48.458024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.458024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.458024 (E_RNA) where: Base-Base interactions energy: -17.643 where: short stacking energy: -17.643 Base-Backbone interact. energy: -0.087 local terms energy: -30.727138 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -2.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -80.832114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.832114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.832114 (E_RNA) where: Base-Base interactions energy: -45.317 where: short stacking energy: -27.535 Base-Backbone interact. energy: -0.008 local terms energy: -35.507718 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -7.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -63.883183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.883183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.883183 (E_RNA) where: Base-Base interactions energy: -27.023 where: short stacking energy: -27.023 Base-Backbone interact. energy: -0.058 local terms energy: -36.801919 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -8.202 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -7.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -57.301097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.301097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.301097 (E_RNA) where: Base-Base interactions energy: -22.738 where: short stacking energy: -22.738 Base-Backbone interact. energy: -0.082 local terms energy: -34.481174 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -4.236 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: 4, replica: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -51.410942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.410942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.410942 (E_RNA) where: Base-Base interactions energy: -18.189 where: short stacking energy: -16.003 Base-Backbone interact. energy: -0.116 local terms energy: -33.106212 where: bonds (distance) C4'-P energy: -5.924 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -6.470 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: 5, replica: 1 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -64.051965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.051965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.051965 (E_RNA) where: Base-Base interactions energy: -34.132 where: short stacking energy: -19.591 Base-Backbone interact. energy: 0.726 local terms energy: -30.645371 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -51.430638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.430638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.430638 (E_RNA) where: Base-Base interactions energy: -19.855 where: short stacking energy: -19.855 Base-Backbone interact. energy: -0.094 local terms energy: -31.481886 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -44.439237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.439237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.439237 (E_RNA) where: Base-Base interactions energy: -14.024 where: short stacking energy: -14.024 Base-Backbone interact. energy: -0.075 local terms energy: -30.340431 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -42.088572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.088572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.088572 (E_RNA) where: Base-Base interactions energy: -16.187 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.013 local terms energy: -25.888531 where: bonds (distance) C4'-P energy: -5.969 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -5.092 tors. eta vs tors. theta energy: 3.019 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: 5 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -40.562568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.562568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.562568 (E_RNA) where: Base-Base interactions energy: -11.071 where: short stacking energy: -11.071 Base-Backbone interact. energy: -0.189 local terms energy: -29.302841 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: 0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -40.943005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.943005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.943005 (E_RNA) where: Base-Base interactions energy: -12.150 where: short stacking energy: -12.150 Base-Backbone interact. energy: -0.003 local terms energy: -28.789846 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -78.594785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.594785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.594785 (E_RNA) where: Base-Base interactions energy: -40.842 where: short stacking energy: -30.529 Base-Backbone interact. energy: -0.001 local terms energy: -37.752590 where: bonds (distance) C4'-P energy: -5.455 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -8.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -59.216546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.216546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.216546 (E_RNA) where: Base-Base interactions energy: -26.693 where: short stacking energy: -22.806 Base-Backbone interact. energy: -0.216 local terms energy: -32.306691 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -6.211 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: 3, replica: 10 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -60.597699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.597699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.597699 (E_RNA) where: Base-Base interactions energy: -24.208 where: short stacking energy: -24.208 Base-Backbone interact. energy: -0.000 local terms energy: -36.390126 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.770 flat angles P-C4'-P energy: -4.189 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: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -48.014726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.014726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.014726 (E_RNA) where: Base-Base interactions energy: -18.518 where: short stacking energy: -14.475 Base-Backbone interact. energy: 0.109 local terms energy: -29.606394 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -58.202908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.202908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.202908 (E_RNA) where: Base-Base interactions energy: -27.536 where: short stacking energy: -27.536 Base-Backbone interact. energy: -0.000 local terms energy: -30.666601 where: bonds (distance) C4'-P energy: -6.755 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -7.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -50.663558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.663558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.663558 (E_RNA) where: Base-Base interactions energy: -20.583 where: short stacking energy: -11.358 Base-Backbone interact. energy: -0.095 local terms energy: -29.985780 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -49.598976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.598976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.598976 (E_RNA) where: Base-Base interactions energy: -21.735 where: short stacking energy: -21.735 Base-Backbone interact. energy: -0.010 local terms energy: -27.853167 where: bonds (distance) C4'-P energy: -4.065 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -4.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -46.030856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.030856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.030856 (E_RNA) where: Base-Base interactions energy: -19.032 where: short stacking energy: -14.529 Base-Backbone interact. energy: -0.005 local terms energy: -26.994219 where: bonds (distance) C4'-P energy: -3.205 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -3.874 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: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -43.350439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.350439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.350439 (E_RNA) where: Base-Base interactions energy: -15.010 where: short stacking energy: -15.110 Base-Backbone interact. energy: 0.631 local terms energy: -28.971449 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -6.044 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: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -43.742656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.742656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.742656 (E_RNA) where: Base-Base interactions energy: -12.837 where: short stacking energy: -12.837 Base-Backbone interact. energy: -0.095 local terms energy: -30.810963 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -3.717 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: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -81.994579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.994579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.994579 (E_RNA) where: Base-Base interactions energy: -46.437 where: short stacking energy: -29.276 Base-Backbone interact. energy: -0.082 local terms energy: -35.475001 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -7.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -60.543114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.543114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.543114 (E_RNA) where: Base-Base interactions energy: -26.679 where: short stacking energy: -26.679 Base-Backbone interact. energy: -0.002 local terms energy: -33.862430 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -5.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -58.685961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.685961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.685961 (E_RNA) where: Base-Base interactions energy: -23.945 where: short stacking energy: -23.945 Base-Backbone interact. energy: -0.009 local terms energy: -34.731486 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -4.559 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: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -52.802377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.802377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.802377 (E_RNA) where: Base-Base interactions energy: -19.620 where: short stacking energy: -16.635 Base-Backbone interact. energy: -0.033 local terms energy: -33.149575 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -54.406643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.406643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.406643 (E_RNA) where: Base-Base interactions energy: -20.672 where: short stacking energy: -20.672 Base-Backbone interact. energy: -0.128 local terms energy: -33.606289 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -4.459 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: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -51.101599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.101599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.101599 (E_RNA) where: Base-Base interactions energy: -24.051 where: short stacking energy: -23.961 Base-Backbone interact. energy: -0.001 local terms energy: -27.049835 where: bonds (distance) C4'-P energy: -4.331 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -2.343 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: 7, replica: 5 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -48.538586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.538586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.538586 (E_RNA) where: Base-Base interactions energy: -19.341 where: short stacking energy: -19.341 Base-Backbone interact. energy: -0.083 local terms energy: -29.114359 where: bonds (distance) C4'-P energy: -3.274 bonds (distance) P-C4' energy: -6.270 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -5.322 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: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -48.648338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.648338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.648338 (E_RNA) where: Base-Base interactions energy: -19.762 where: short stacking energy: -17.328 Base-Backbone interact. energy: -0.002 local terms energy: -28.884732 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -44.745107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.745107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.745107 (E_RNA) where: Base-Base interactions energy: -19.852 where: short stacking energy: -13.441 Base-Backbone interact. energy: 1.696 local terms energy: -26.588888 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -1.543 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: 10, replica: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -39.457064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.457064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.457064 (E_RNA) where: Base-Base interactions energy: -13.564 where: short stacking energy: -13.564 Base-Backbone interact. energy: -0.015 local terms energy: -25.877400 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -74.278875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.278875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.278875 (E_RNA) where: Base-Base interactions energy: -37.515 where: short stacking energy: -30.769 Base-Backbone interact. energy: -0.000 local terms energy: -36.763346 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.219 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -4.920 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: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -57.759750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.759750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.759750 (E_RNA) where: Base-Base interactions energy: -24.089 where: short stacking energy: -24.089 Base-Backbone interact. energy: -0.034 local terms energy: -33.636908 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -58.617862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.617862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.617862 (E_RNA) where: Base-Base interactions energy: -22.250 where: short stacking energy: -22.250 Base-Backbone interact. energy: -0.000 local terms energy: -36.367435 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -50.806262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.806262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.806262 (E_RNA) where: Base-Base interactions energy: -19.654 where: short stacking energy: -19.654 Base-Backbone interact. energy: -0.007 local terms energy: -31.145587 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -9.031 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -46.843197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.843197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.843197 (E_RNA) where: Base-Base interactions energy: -15.732 where: short stacking energy: -15.196 Base-Backbone interact. energy: -0.128 local terms energy: -30.983043 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -3.027 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: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -51.693214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.693214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.693214 (E_RNA) where: Base-Base interactions energy: -20.856 where: short stacking energy: -20.856 Base-Backbone interact. energy: -0.001 local terms energy: -30.835698 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -4.551 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: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -51.536121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.536121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.536121 (E_RNA) where: Base-Base interactions energy: -28.940 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.100 local terms energy: -22.495880 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -1.613 tors. eta vs tors. theta energy: -2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -50.422848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.422848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.422848 (E_RNA) where: Base-Base interactions energy: -21.658 where: short stacking energy: -21.658 Base-Backbone interact. energy: -0.000 local terms energy: -28.764733 where: bonds (distance) C4'-P energy: -6.378 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -2.034 tors. eta vs tors. theta energy: -6.137 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: 129 Temperature: 1.300000 Total energy: -40.433134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.433134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.433134 (E_RNA) where: Base-Base interactions energy: -17.401 where: short stacking energy: -17.401 Base-Backbone interact. energy: -0.000 local terms energy: -23.032410 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -51.256238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.256238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.256238 (E_RNA) where: Base-Base interactions energy: -21.442 where: short stacking energy: -21.442 Base-Backbone interact. energy: -0.009 local terms energy: -29.805504 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -3.209 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -5.449 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: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -72.704462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.704462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.704462 (E_RNA) where: Base-Base interactions energy: -31.601 where: short stacking energy: -31.601 Base-Backbone interact. energy: -0.000 local terms energy: -41.103264 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -10.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -70.374545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.374545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.374545 (E_RNA) where: Base-Base interactions energy: -37.070 where: short stacking energy: -23.251 Base-Backbone interact. energy: -0.006 local terms energy: -33.298534 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -68.181666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.181666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.181666 (E_RNA) where: Base-Base interactions energy: -30.365 where: short stacking energy: -30.365 Base-Backbone interact. energy: -0.000 local terms energy: -37.816602 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -5.961 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: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -48.518448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.518448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.518448 (E_RNA) where: Base-Base interactions energy: -21.421 where: short stacking energy: -21.421 Base-Backbone interact. energy: -0.071 local terms energy: -27.026136 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -56.349954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.349954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.349954 (E_RNA) where: Base-Base interactions energy: -24.852 where: short stacking energy: -24.570 Base-Backbone interact. energy: -0.005 local terms energy: -31.492213 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -4.258 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: 6, replica: 10 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -54.340308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.340308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.340308 (E_RNA) where: Base-Base interactions energy: -21.207 where: short stacking energy: -21.207 Base-Backbone interact. energy: -0.004 local terms energy: -33.129226 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.641 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.592 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: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -57.139828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.139828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.139828 (E_RNA) where: Base-Base interactions energy: -25.372 where: short stacking energy: -25.372 Base-Backbone interact. energy: -0.000 local terms energy: -31.767504 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -48.623397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.623397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.623397 (E_RNA) where: Base-Base interactions energy: -20.999 where: short stacking energy: -20.999 Base-Backbone interact. energy: -0.013 local terms energy: -27.611235 where: bonds (distance) C4'-P energy: -3.647 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -3.891 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: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -42.151502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.151502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.151502 (E_RNA) where: Base-Base interactions energy: -18.702 where: short stacking energy: -15.714 Base-Backbone interact. energy: -0.092 local terms energy: -23.357406 where: bonds (distance) C4'-P energy: -3.961 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -43.123580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.123580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.123580 (E_RNA) where: Base-Base interactions energy: -13.237 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.005 local terms energy: -29.881412 where: bonds (distance) C4'-P energy: -6.844 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -4.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -63.775626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.775626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.775626 (E_RNA) where: Base-Base interactions energy: -26.576 where: short stacking energy: -26.576 Base-Backbone interact. energy: -0.000 local terms energy: -37.198970 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -5.692 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: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -66.274279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.274279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.274279 (E_RNA) where: Base-Base interactions energy: -36.633 where: short stacking energy: -21.579 Base-Backbone interact. energy: -0.043 local terms energy: -29.598470 where: bonds (distance) C4'-P energy: -2.724 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -5.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -69.554608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.554608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.554608 (E_RNA) where: Base-Base interactions energy: -37.941 where: short stacking energy: -29.095 Base-Backbone interact. energy: 0.032 local terms energy: -31.645722 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -6.717 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: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -50.661987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.661987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.661987 (E_RNA) where: Base-Base interactions energy: -20.048 where: short stacking energy: -20.048 Base-Backbone interact. energy: -0.008 local terms energy: -30.606065 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -5.785 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: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -46.174220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.174220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.174220 (E_RNA) where: Base-Base interactions energy: -16.882 where: short stacking energy: -16.122 Base-Backbone interact. energy: -0.003 local terms energy: -29.289102 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -3.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -61.868143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.868143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.868143 (E_RNA) where: Base-Base interactions energy: -27.876 where: short stacking energy: -27.876 Base-Backbone interact. energy: -0.000 local terms energy: -33.991528 where: bonds (distance) C4'-P energy: -6.471 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -8.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -45.574975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.574975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.574975 (E_RNA) where: Base-Base interactions energy: -17.020 where: short stacking energy: -17.020 Base-Backbone interact. energy: -0.008 local terms energy: -28.546761 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -46.626505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.626505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.626505 (E_RNA) where: Base-Base interactions energy: -21.070 where: short stacking energy: -19.728 Base-Backbone interact. energy: 0.855 local terms energy: -26.411565 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -46.419766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.419766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.419766 (E_RNA) where: Base-Base interactions energy: -18.115 where: short stacking energy: -17.893 Base-Backbone interact. energy: -0.004 local terms energy: -28.301114 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -3.361 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: 6 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -41.221706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.221706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.221706 (E_RNA) where: Base-Base interactions energy: -16.247 where: short stacking energy: -16.247 Base-Backbone interact. energy: -0.006 local terms energy: -24.968270 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -2.030 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -61.237558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.237558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.237558 (E_RNA) where: Base-Base interactions energy: -27.815 where: short stacking energy: -25.196 Base-Backbone interact. energy: -0.072 local terms energy: -33.349734 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -3.035 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: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -62.175916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.175916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.175916 (E_RNA) where: Base-Base interactions energy: -25.738 where: short stacking energy: -25.738 Base-Backbone interact. energy: -0.000 local terms energy: -36.437261 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -5.606 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: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -56.331788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.331788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.331788 (E_RNA) where: Base-Base interactions energy: -27.466 where: short stacking energy: -18.008 Base-Backbone interact. energy: -0.001 local terms energy: -28.865625 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -63.788695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.788695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.788695 (E_RNA) where: Base-Base interactions energy: -33.816 where: short stacking energy: -29.458 Base-Backbone interact. energy: -0.001 local terms energy: -29.971166 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: 0.028 tors. eta vs tors. theta energy: -8.026 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: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -56.713383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.713383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.713383 (E_RNA) where: Base-Base interactions energy: -22.030 where: short stacking energy: -22.030 Base-Backbone interact. energy: -0.025 local terms energy: -34.658499 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -54.201530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.201530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.201530 (E_RNA) where: Base-Base interactions energy: -19.883 where: short stacking energy: -19.883 Base-Backbone interact. energy: -0.001 local terms energy: -34.316995 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -3.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -44.396328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.396328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.396328 (E_RNA) where: Base-Base interactions energy: -16.515 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.387 local terms energy: -27.494144 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -44.784636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.784636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.784636 (E_RNA) where: Base-Base interactions energy: -15.132 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.358 local terms energy: -29.294400 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -5.968 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: 9, replica: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -43.959250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.959250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.959250 (E_RNA) where: Base-Base interactions energy: -15.689 where: short stacking energy: -13.744 Base-Backbone interact. energy: -0.186 local terms energy: -28.083598 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: 0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -41.977733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.977733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.977733 (E_RNA) where: Base-Base interactions energy: -20.088 where: short stacking energy: -16.108 Base-Backbone interact. energy: -0.067 local terms energy: -21.822460 where: bonds (distance) C4'-P energy: -4.131 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -5.435 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: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -67.956850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.956850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.956850 (E_RNA) where: Base-Base interactions energy: -36.135 where: short stacking energy: -22.090 Base-Backbone interact. energy: -0.001 local terms energy: -31.820841 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -4.212 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: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -68.438095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.438095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.438095 (E_RNA) where: Base-Base interactions energy: -29.686 where: short stacking energy: -29.686 Base-Backbone interact. energy: -0.000 local terms energy: -38.752116 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -4.187 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: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -64.519140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.519140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.519140 (E_RNA) where: Base-Base interactions energy: -39.867 where: short stacking energy: -21.188 Base-Backbone interact. energy: -0.023 local terms energy: -24.628877 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -6.472 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -4.370 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: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -47.639087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.639087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.639087 (E_RNA) where: Base-Base interactions energy: -16.263 where: short stacking energy: -16.263 Base-Backbone interact. energy: -0.157 local terms energy: -31.219417 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -3.179 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: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -47.694050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.694050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.694050 (E_RNA) where: Base-Base interactions energy: -15.804 where: short stacking energy: -15.804 Base-Backbone interact. energy: -0.017 local terms energy: -31.873769 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -50.704094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.704094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.704094 (E_RNA) where: Base-Base interactions energy: -19.723 where: short stacking energy: -19.723 Base-Backbone interact. energy: -0.182 local terms energy: -30.799254 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -47.311657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.311657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.311657 (E_RNA) where: Base-Base interactions energy: -20.320 where: short stacking energy: -20.320 Base-Backbone interact. energy: -0.107 local terms energy: -26.884342 where: bonds (distance) C4'-P energy: -5.472 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -57.602761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.602761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.602761 (E_RNA) where: Base-Base interactions energy: -33.825 where: short stacking energy: -25.785 Base-Backbone interact. energy: -0.033 local terms energy: -23.745145 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -46.107448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.107448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.107448 (E_RNA) where: Base-Base interactions energy: -22.451 where: short stacking energy: -21.399 Base-Backbone interact. energy: -0.132 local terms energy: -23.523842 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -2.003 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: 10, replica: 2 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -39.708325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.708325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.708325 (E_RNA) where: Base-Base interactions energy: -9.391 where: short stacking energy: -9.391 Base-Backbone interact. energy: -0.053 local terms energy: -30.263693 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -7.527 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: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -76.056434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.056434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.056434 (E_RNA) where: Base-Base interactions energy: -43.316 where: short stacking energy: -23.216 Base-Backbone interact. energy: -0.114 local terms energy: -32.625916 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -66.141818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.141818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.141818 (E_RNA) where: Base-Base interactions energy: -30.067 where: short stacking energy: -30.067 Base-Backbone interact. energy: -0.000 local terms energy: -36.074325 where: bonds (distance) C4'-P energy: -6.739 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -7.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -58.263810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.263810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.263810 (E_RNA) where: Base-Base interactions energy: -23.312 where: short stacking energy: -23.312 Base-Backbone interact. energy: -0.082 local terms energy: -34.870050 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -5.247 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -52.858144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.858144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.858144 (E_RNA) where: Base-Base interactions energy: -24.419 where: short stacking energy: -24.419 Base-Backbone interact. energy: -0.000 local terms energy: -28.438738 where: bonds (distance) C4'-P energy: -5.041 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.761 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: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -51.551541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.551541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.551541 (E_RNA) where: Base-Base interactions energy: -20.682 where: short stacking energy: -20.682 Base-Backbone interact. energy: -0.056 local terms energy: -30.813862 where: bonds (distance) C4'-P energy: -5.850 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -5.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -49.936365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.936365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.936365 (E_RNA) where: Base-Base interactions energy: -19.927 where: short stacking energy: -18.869 Base-Backbone interact. energy: -0.001 local terms energy: -30.008447 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -5.124 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: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -45.771179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.771179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.771179 (E_RNA) where: Base-Base interactions energy: -20.084 where: short stacking energy: -15.028 Base-Backbone interact. energy: 0.173 local terms energy: -25.860139 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -44.542502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.542502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.542502 (E_RNA) where: Base-Base interactions energy: -14.080 where: short stacking energy: -14.080 Base-Backbone interact. energy: -0.137 local terms energy: -30.325588 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -6.125 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: 9, replica: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -46.733525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.733525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.733525 (E_RNA) where: Base-Base interactions energy: -17.234 where: short stacking energy: -17.234 Base-Backbone interact. energy: -0.065 local terms energy: -29.434956 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.296 flat angles C4'-P-C4' energy: -2.647 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -39.312255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.312255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.312255 (E_RNA) where: Base-Base interactions energy: -11.998 where: short stacking energy: -11.998 Base-Backbone interact. energy: -0.145 local terms energy: -27.169188 where: bonds (distance) C4'-P energy: -3.803 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -73.043458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.043458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.043458 (E_RNA) where: Base-Base interactions energy: -35.784 where: short stacking energy: -24.628 Base-Backbone interact. energy: -0.001 local terms energy: -37.258793 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.367 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -6.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -55.967984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.967984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.967984 (E_RNA) where: Base-Base interactions energy: -27.251 where: short stacking energy: -26.461 Base-Backbone interact. energy: -0.001 local terms energy: -28.715682 where: bonds (distance) C4'-P energy: -5.952 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -63.277218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.277218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.277218 (E_RNA) where: Base-Base interactions energy: -27.478 where: short stacking energy: -27.478 Base-Backbone interact. energy: -0.000 local terms energy: -35.798908 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.907 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -52.654442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.654442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.654442 (E_RNA) where: Base-Base interactions energy: -20.285 where: short stacking energy: -20.285 Base-Backbone interact. energy: -0.027 local terms energy: -32.342274 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -1.995 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: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -48.704589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.704589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.704589 (E_RNA) where: Base-Base interactions energy: -20.708 where: short stacking energy: -19.023 Base-Backbone interact. energy: -0.131 local terms energy: -27.865137 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -4.325 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: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -46.424779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.424779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.424779 (E_RNA) where: Base-Base interactions energy: -16.977 where: short stacking energy: -16.977 Base-Backbone interact. energy: -0.020 local terms energy: -29.428395 where: bonds (distance) C4'-P energy: -7.161 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -2.973 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -53.383028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.383028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.383028 (E_RNA) where: Base-Base interactions energy: -20.001 where: short stacking energy: -19.094 Base-Backbone interact. energy: -0.033 local terms energy: -33.349538 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -5.287 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: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -53.230521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.230521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.230521 (E_RNA) where: Base-Base interactions energy: -24.422 where: short stacking energy: -24.422 Base-Backbone interact. energy: -0.001 local terms energy: -28.807241 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -2.464 tors. eta vs tors. theta energy: -4.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -48.503115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.503115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.503115 (E_RNA) where: Base-Base interactions energy: -21.003 where: short stacking energy: -18.981 Base-Backbone interact. energy: -0.016 local terms energy: -27.484285 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -2.343 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -38.663316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.663316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.663316 (E_RNA) where: Base-Base interactions energy: -13.263 where: short stacking energy: -10.516 Base-Backbone interact. energy: 0.317 local terms energy: -25.718114 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -2.461 tors. eta vs tors. theta energy: 2.067 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: 136 Temperature: 0.900000 Total energy: -63.285904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.285904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.285904 (E_RNA) where: Base-Base interactions energy: -24.051 where: short stacking energy: -24.051 Base-Backbone interact. energy: -0.001 local terms energy: -39.234030 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -9.529 flat angles P-C4'-P energy: -7.088 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: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -69.460353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.460353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.460353 (E_RNA) where: Base-Base interactions energy: -35.941 where: short stacking energy: -27.066 Base-Backbone interact. energy: -0.024 local terms energy: -33.495009 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -72.618624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.618624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.618624 (E_RNA) where: Base-Base interactions energy: -38.590 where: short stacking energy: -17.996 Base-Backbone interact. energy: -0.007 local terms energy: -34.022110 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -5.667 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: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -54.514373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.514373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.514373 (E_RNA) where: Base-Base interactions energy: -24.095 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.323 local terms energy: -30.095892 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -1.879 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: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -45.169357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.169357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.169357 (E_RNA) where: Base-Base interactions energy: -16.136 where: short stacking energy: -11.343 Base-Backbone interact. energy: -0.003 local terms energy: -29.030861 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -0.492 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: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -51.047541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.047541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.047541 (E_RNA) where: Base-Base interactions energy: -21.796 where: short stacking energy: -13.081 Base-Backbone interact. energy: -0.082 local terms energy: -29.170025 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.919 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -47.052484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.052484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.052484 (E_RNA) where: Base-Base interactions energy: -16.919 where: short stacking energy: -16.919 Base-Backbone interact. energy: -0.004 local terms energy: -30.129169 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -41.686064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.686064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.686064 (E_RNA) where: Base-Base interactions energy: -16.118 where: short stacking energy: -10.705 Base-Backbone interact. energy: -0.078 local terms energy: -25.489842 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -5.423 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: 9, replica: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -46.538904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.538904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.538904 (E_RNA) where: Base-Base interactions energy: -19.483 where: short stacking energy: -19.483 Base-Backbone interact. energy: -0.022 local terms energy: -27.034188 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -4.018 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: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -42.617984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.617984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.617984 (E_RNA) where: Base-Base interactions energy: -15.794 where: short stacking energy: -15.794 Base-Backbone interact. energy: 1.681 local terms energy: -28.505211 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -65.201326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.201326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.201326 (E_RNA) where: Base-Base interactions energy: -29.440 where: short stacking energy: -29.440 Base-Backbone interact. energy: -0.000 local terms energy: -35.760998 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -4.951 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: 2, replica: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -71.788630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.788630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.788630 (E_RNA) where: Base-Base interactions energy: -37.711 where: short stacking energy: -19.536 Base-Backbone interact. energy: -0.395 local terms energy: -33.682561 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -9.306 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -59.077627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.077627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.077627 (E_RNA) where: Base-Base interactions energy: -24.434 where: short stacking energy: -22.223 Base-Backbone interact. energy: -0.001 local terms energy: -34.642719 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -5.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -55.230093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.230093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.230093 (E_RNA) where: Base-Base interactions energy: -22.675 where: short stacking energy: -22.675 Base-Backbone interact. energy: 0.536 local terms energy: -33.091545 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -4.736 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: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -55.494317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.494317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.494317 (E_RNA) where: Base-Base interactions energy: -20.712 where: short stacking energy: -20.712 Base-Backbone interact. energy: -0.096 local terms energy: -34.686773 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -5.916 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: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -47.212869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.212869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.212869 (E_RNA) where: Base-Base interactions energy: -19.743 where: short stacking energy: -13.655 Base-Backbone interact. energy: -0.101 local terms energy: -27.369158 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -5.548 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -1.880 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: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -44.125219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.125219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.125219 (E_RNA) where: Base-Base interactions energy: -24.525 where: short stacking energy: -24.525 Base-Backbone interact. energy: -0.001 local terms energy: -19.599592 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: 0.367 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: 8, replica: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -47.937277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.937277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.937277 (E_RNA) where: Base-Base interactions energy: -21.563 where: short stacking energy: -21.563 Base-Backbone interact. energy: -0.005 local terms energy: -26.369996 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -2.891 tors. eta vs tors. theta energy: -1.342 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: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -48.799530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.799530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.799530 (E_RNA) where: Base-Base interactions energy: -24.026 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.011 local terms energy: -24.762726 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: 2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -41.722548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.722548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.722548 (E_RNA) where: Base-Base interactions energy: -16.290 where: short stacking energy: -9.090 Base-Backbone interact. energy: -0.159 local terms energy: -25.273699 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: 0.804 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: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -67.428058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.428058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.428058 (E_RNA) where: Base-Base interactions energy: -36.439 where: short stacking energy: -19.890 Base-Backbone interact. energy: -0.000 local terms energy: -30.988626 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -4.635 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: 2, replica: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -67.611445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.611445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.611445 (E_RNA) where: Base-Base interactions energy: -31.922 where: short stacking energy: -25.112 Base-Backbone interact. energy: -0.000 local terms energy: -35.689755 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.082 flat angles P-C4'-P energy: -5.416 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: 3, replica: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -51.658680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.658680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.658680 (E_RNA) where: Base-Base interactions energy: -23.347 where: short stacking energy: -23.347 Base-Backbone interact. energy: -0.097 local terms energy: -28.214866 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -3.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -64.184900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.184900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.184900 (E_RNA) where: Base-Base interactions energy: -30.235 where: short stacking energy: -29.980 Base-Backbone interact. energy: -0.000 local terms energy: -33.950063 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.861 flat angles P-C4'-P energy: -3.198 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: 5, replica: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -50.777505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.777505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.777505 (E_RNA) where: Base-Base interactions energy: -20.648 where: short stacking energy: -20.648 Base-Backbone interact. energy: -0.061 local terms energy: -30.067989 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -48.886062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.886062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.886062 (E_RNA) where: Base-Base interactions energy: -16.128 where: short stacking energy: -16.128 Base-Backbone interact. energy: -0.006 local terms energy: -32.751628 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -7.516 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: 138 Temperature: 1.200000 Total energy: -45.610016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.610016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.610016 (E_RNA) where: Base-Base interactions energy: -21.136 where: short stacking energy: -21.136 Base-Backbone interact. energy: -0.081 local terms energy: -24.393640 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -7.871 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -4.159 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: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -48.610594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.610594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.610594 (E_RNA) where: Base-Base interactions energy: -18.203 where: short stacking energy: -18.203 Base-Backbone interact. energy: -0.000 local terms energy: -30.407137 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.828 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -43.887330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.887330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.887330 (E_RNA) where: Base-Base interactions energy: -16.528 where: short stacking energy: -14.273 Base-Backbone interact. energy: -0.168 local terms energy: -27.191869 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -40.770963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.770963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.770963 (E_RNA) where: Base-Base interactions energy: -14.470 where: short stacking energy: -14.470 Base-Backbone interact. energy: -0.015 local terms energy: -26.285854 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -73.734514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.734514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.734514 (E_RNA) where: Base-Base interactions energy: -35.904 where: short stacking energy: -20.867 Base-Backbone interact. energy: -0.000 local terms energy: -37.830603 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -6.957 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: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -73.320741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.320741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.320741 (E_RNA) where: Base-Base interactions energy: -41.772 where: short stacking energy: -30.587 Base-Backbone interact. energy: -0.000 local terms energy: -31.548992 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -7.608 flat angles C4'-P-C4' energy: -8.499 flat angles P-C4'-P energy: -1.277 tors. eta vs tors. theta energy: -7.456 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: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -69.030064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.030064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.030064 (E_RNA) where: Base-Base interactions energy: -30.865 where: short stacking energy: -23.115 Base-Backbone interact. energy: -0.000 local terms energy: -38.164168 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -10.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -51.987913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.987913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.987913 (E_RNA) where: Base-Base interactions energy: -20.328 where: short stacking energy: -20.328 Base-Backbone interact. energy: -0.000 local terms energy: -31.659877 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -52.385282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.385282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.385282 (E_RNA) where: Base-Base interactions energy: -21.581 where: short stacking energy: -21.581 Base-Backbone interact. energy: -0.001 local terms energy: -30.803526 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -50.561502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.561502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.561502 (E_RNA) where: Base-Base interactions energy: -21.161 where: short stacking energy: -21.161 Base-Backbone interact. energy: -0.029 local terms energy: -29.371971 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -0.353 tors. eta vs tors. theta energy: -5.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -44.957669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.957669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.957669 (E_RNA) where: Base-Base interactions energy: -13.970 where: short stacking energy: -13.743 Base-Backbone interact. energy: -0.069 local terms energy: -30.917980 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -4.562 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: 8, replica: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -40.896511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.896511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.896511 (E_RNA) where: Base-Base interactions energy: -16.972 where: short stacking energy: -16.972 Base-Backbone interact. energy: -0.000 local terms energy: -23.924126 where: bonds (distance) C4'-P energy: -1.887 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -43.480655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.480655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.480655 (E_RNA) where: Base-Base interactions energy: -15.976 where: short stacking energy: -15.976 Base-Backbone interact. energy: -0.004 local terms energy: -27.500941 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -43.129059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.129059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.129059 (E_RNA) where: Base-Base interactions energy: -16.225 where: short stacking energy: -16.225 Base-Backbone interact. energy: -0.003 local terms energy: -26.900918 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -1.214 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: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -75.473497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.473497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.473497 (E_RNA) where: Base-Base interactions energy: -42.234 where: short stacking energy: -24.894 Base-Backbone interact. energy: -0.258 local terms energy: -32.981462 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.910 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -7.524 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -79.964691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.964691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.964691 (E_RNA) where: Base-Base interactions energy: -46.473 where: short stacking energy: -33.015 Base-Backbone interact. energy: -0.001 local terms energy: -33.490744 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -6.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -65.671745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.671745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.671745 (E_RNA) where: Base-Base interactions energy: -28.527 where: short stacking energy: -26.463 Base-Backbone interact. energy: -0.008 local terms energy: -37.136539 where: bonds (distance) C4'-P energy: -7.389 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -6.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -63.181500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.181500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.181500 (E_RNA) where: Base-Base interactions energy: -27.991 where: short stacking energy: -27.991 Base-Backbone interact. energy: -0.000 local terms energy: -35.190386 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.911 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -8.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -52.045342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.045342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.045342 (E_RNA) where: Base-Base interactions energy: -19.282 where: short stacking energy: -19.282 Base-Backbone interact. energy: -0.000 local terms energy: -32.762775 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -57.912070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.912070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.912070 (E_RNA) where: Base-Base interactions energy: -26.269 where: short stacking energy: -26.269 Base-Backbone interact. energy: 0.035 local terms energy: -31.678105 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -7.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -45.636645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.636645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.636645 (E_RNA) where: Base-Base interactions energy: -17.748 where: short stacking energy: -17.748 Base-Backbone interact. energy: -0.015 local terms energy: -27.873903 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -3.218 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -44.683569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.683569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.683569 (E_RNA) where: Base-Base interactions energy: -16.319 where: short stacking energy: -16.319 Base-Backbone interact. energy: -0.001 local terms energy: -28.363582 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -4.557 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: 9, replica: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -41.682702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.682702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.682702 (E_RNA) where: Base-Base interactions energy: -14.442 where: short stacking energy: -14.067 Base-Backbone interact. energy: -0.001 local terms energy: -27.240290 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -41.684670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.684670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.684670 (E_RNA) where: Base-Base interactions energy: -17.294 where: short stacking energy: -17.294 Base-Backbone interact. energy: -0.048 local terms energy: -24.341873 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -2.191 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -85.608323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.608323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.608323 (E_RNA) where: Base-Base interactions energy: -49.429 where: short stacking energy: -25.928 Base-Backbone interact. energy: -0.009 local terms energy: -36.170561 where: bonds (distance) C4'-P energy: -8.512 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -84.863892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.863892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.863892 (E_RNA) where: Base-Base interactions energy: -49.331 where: short stacking energy: -29.381 Base-Backbone interact. energy: -0.002 local terms energy: -35.530562 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -6.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -59.758075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.758075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.758075 (E_RNA) where: Base-Base interactions energy: -28.185 where: short stacking energy: -28.185 Base-Backbone interact. energy: -0.006 local terms energy: -31.566551 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -6.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -61.749468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.749468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.749468 (E_RNA) where: Base-Base interactions energy: -39.535 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.003 local terms energy: -22.210951 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -2.645 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -54.877540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.877540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.877540 (E_RNA) where: Base-Base interactions energy: -22.177 where: short stacking energy: -22.177 Base-Backbone interact. energy: -0.099 local terms energy: -32.601762 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -4.303 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: 6, replica: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -50.115189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.115189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.115189 (E_RNA) where: Base-Base interactions energy: -18.441 where: short stacking energy: -18.441 Base-Backbone interact. energy: -0.000 local terms energy: -31.674023 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -5.705 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: 7, replica: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -52.714027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.714027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.714027 (E_RNA) where: Base-Base interactions energy: -21.325 where: short stacking energy: -13.096 Base-Backbone interact. energy: 0.458 local terms energy: -31.847383 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -49.305143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.305143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.305143 (E_RNA) where: Base-Base interactions energy: -21.745 where: short stacking energy: -21.328 Base-Backbone interact. energy: -0.008 local terms energy: -27.552258 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -3.844 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -4.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -51.951955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.951955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.951955 (E_RNA) where: Base-Base interactions energy: -16.981 where: short stacking energy: -16.115 Base-Backbone interact. energy: 0.010 local terms energy: -34.980852 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -6.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -42.998471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.998471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.998471 (E_RNA) where: Base-Base interactions energy: -18.897 where: short stacking energy: -18.259 Base-Backbone interact. energy: -0.014 local terms energy: -24.088358 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -5.858 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -80.164627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.164627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.164627 (E_RNA) where: Base-Base interactions energy: -48.422 where: short stacking energy: -26.308 Base-Backbone interact. energy: -0.022 local terms energy: -31.719935 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -64.967715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.967715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.967715 (E_RNA) where: Base-Base interactions energy: -33.989 where: short stacking energy: -23.372 Base-Backbone interact. energy: 0.075 local terms energy: -31.054112 where: bonds (distance) C4'-P energy: -6.157 bonds (distance) P-C4' energy: -7.036 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -6.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -62.073012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.073012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.073012 (E_RNA) where: Base-Base interactions energy: -27.480 where: short stacking energy: -27.480 Base-Backbone interact. energy: -0.004 local terms energy: -34.588863 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -5.412 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: 142 Temperature: 1.050000 Total energy: -48.876934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.876934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.876934 (E_RNA) where: Base-Base interactions energy: -17.313 where: short stacking energy: -15.171 Base-Backbone interact. energy: -0.111 local terms energy: -31.453057 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -55.748943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.748943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.748943 (E_RNA) where: Base-Base interactions energy: -28.781 where: short stacking energy: -21.053 Base-Backbone interact. energy: -0.009 local terms energy: -26.958901 where: bonds (distance) C4'-P energy: -6.157 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -3.526 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: 142 Temperature: 1.150000 Total energy: -72.189087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.189087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.189087 (E_RNA) where: Base-Base interactions energy: -42.359 where: short stacking energy: -20.450 Base-Backbone interact. energy: 0.142 local terms energy: -29.972664 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -4.495 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: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -44.800168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.800168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.800168 (E_RNA) where: Base-Base interactions energy: -16.957 where: short stacking energy: -16.957 Base-Backbone interact. energy: -0.014 local terms energy: -27.829580 where: bonds (distance) C4'-P energy: -4.359 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -49.364768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.364768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.364768 (E_RNA) where: Base-Base interactions energy: -21.438 where: short stacking energy: -21.438 Base-Backbone interact. energy: -0.031 local terms energy: -27.895247 where: bonds (distance) C4'-P energy: -2.749 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -6.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -39.091894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.091894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.091894 (E_RNA) where: Base-Base interactions energy: -18.252 where: short stacking energy: -18.252 Base-Backbone interact. energy: -0.001 local terms energy: -20.839475 where: bonds (distance) C4'-P energy: -3.026 bonds (distance) P-C4' energy: -2.864 flat angles C4'-P-C4' energy: -8.893 flat angles P-C4'-P energy: -3.251 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: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -44.972345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.972345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.972345 (E_RNA) where: Base-Base interactions energy: -14.940 where: short stacking energy: -13.888 Base-Backbone interact. energy: -0.068 local terms energy: -29.964519 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -5.294 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -6.126 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: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -87.148922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.148922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.148922 (E_RNA) where: Base-Base interactions energy: -52.931 where: short stacking energy: -22.155 Base-Backbone interact. energy: -0.438 local terms energy: -33.780166 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -6.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -58.442109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.442109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.442109 (E_RNA) where: Base-Base interactions energy: -24.382 where: short stacking energy: -24.382 Base-Backbone interact. energy: 0.148 local terms energy: -34.207352 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -6.992 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: 3, replica: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -59.849066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.849066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.849066 (E_RNA) where: Base-Base interactions energy: -29.674 where: short stacking energy: -19.867 Base-Backbone interact. energy: -0.064 local terms energy: -30.110648 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -54.242485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.242485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.242485 (E_RNA) where: Base-Base interactions energy: -22.327 where: short stacking energy: -22.327 Base-Backbone interact. energy: -0.003 local terms energy: -31.912712 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -4.693 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: 5, replica: 9 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -54.796093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.796093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.796093 (E_RNA) where: Base-Base interactions energy: -19.463 where: short stacking energy: -19.463 Base-Backbone interact. energy: 0.286 local terms energy: -35.618535 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -4.057 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: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -52.082976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.082976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.082976 (E_RNA) where: Base-Base interactions energy: -23.192 where: short stacking energy: -22.841 Base-Backbone interact. energy: -0.003 local terms energy: -28.888866 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -3.828 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: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -52.979061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.979061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.979061 (E_RNA) where: Base-Base interactions energy: -16.173 where: short stacking energy: -15.542 Base-Backbone interact. energy: -0.234 local terms energy: -36.572331 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -6.197 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: 8, replica: 2 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -49.969031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.969031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.969031 (E_RNA) where: Base-Base interactions energy: -19.918 where: short stacking energy: -19.918 Base-Backbone interact. energy: -0.011 local terms energy: -30.040229 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -1.989 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: 9, replica: 6 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -43.306977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.306977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.306977 (E_RNA) where: Base-Base interactions energy: -20.532 where: short stacking energy: -20.532 Base-Backbone interact. energy: -0.005 local terms energy: -22.770412 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -1.657 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -47.702869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.702869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.702869 (E_RNA) where: Base-Base interactions energy: -24.514 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.038 local terms energy: -23.151564 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -6.336 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: 1, replica: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -65.626059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.626059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.626059 (E_RNA) where: Base-Base interactions energy: -29.167 where: short stacking energy: -29.167 Base-Backbone interact. energy: -0.000 local terms energy: -36.459017 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -4.678 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: 2, replica: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -78.263260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.263260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.263260 (E_RNA) where: Base-Base interactions energy: -45.335 where: short stacking energy: -25.839 Base-Backbone interact. energy: -0.007 local terms energy: -32.921261 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.874 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -4.803 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: 3, replica: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -61.247311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.247311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.247311 (E_RNA) where: Base-Base interactions energy: -26.104 where: short stacking energy: -26.104 Base-Backbone interact. energy: -0.000 local terms energy: -35.143144 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.418 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -53.580074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.580074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.580074 (E_RNA) where: Base-Base interactions energy: -20.425 where: short stacking energy: -17.758 Base-Backbone interact. energy: -0.114 local terms energy: -33.040848 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -60.945611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.945611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.945611 (E_RNA) where: Base-Base interactions energy: -20.921 where: short stacking energy: -20.921 Base-Backbone interact. energy: -0.000 local terms energy: -40.024181 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -9.023 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -8.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -57.274696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.274696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.274696 (E_RNA) where: Base-Base interactions energy: -28.159 where: short stacking energy: -18.265 Base-Backbone interact. energy: -0.462 local terms energy: -28.653810 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -7.008 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -48.481986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.481986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.481986 (E_RNA) where: Base-Base interactions energy: -22.815 where: short stacking energy: -22.789 Base-Backbone interact. energy: -0.007 local terms energy: -25.659330 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -0.237 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: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -39.485892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.485892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.485892 (E_RNA) where: Base-Base interactions energy: -11.555 where: short stacking energy: -10.498 Base-Backbone interact. energy: -0.036 local terms energy: -27.895091 where: bonds (distance) C4'-P energy: -3.817 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -65.667748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.667748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.667748 (E_RNA) where: Base-Base interactions energy: -31.063 where: short stacking energy: -25.486 Base-Backbone interact. energy: -0.003 local terms energy: -34.602130 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -39.682977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.682977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.682977 (E_RNA) where: Base-Base interactions energy: -12.778 where: short stacking energy: -12.778 Base-Backbone interact. energy: -0.042 local terms energy: -26.863180 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -64.848533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.848533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.848533 (E_RNA) where: Base-Base interactions energy: -26.169 where: short stacking energy: -26.169 Base-Backbone interact. energy: -0.004 local terms energy: -38.675403 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -8.664 flat angles P-C4'-P energy: -6.091 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: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -65.850591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.850591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.850591 (E_RNA) where: Base-Base interactions energy: -28.393 where: short stacking energy: -28.393 Base-Backbone interact. energy: -0.000 local terms energy: -37.457541 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -6.793 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -10.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -82.074333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.074333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.074333 (E_RNA) where: Base-Base interactions energy: -45.355 where: short stacking energy: -30.485 Base-Backbone interact. energy: 0.346 local terms energy: -37.064846 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.718 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -7.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -46.172478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.172478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.172478 (E_RNA) where: Base-Base interactions energy: -15.945 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.012 local terms energy: -30.215149 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -56.986406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.986406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.986406 (E_RNA) where: Base-Base interactions energy: -21.725 where: short stacking energy: -21.725 Base-Backbone interact. energy: -0.003 local terms energy: -35.258430 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -7.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -46.723481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.723481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.723481 (E_RNA) where: Base-Base interactions energy: -16.504 where: short stacking energy: -16.504 Base-Backbone interact. energy: -0.001 local terms energy: -30.218489 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -6.528 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: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -45.791428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.791428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.791428 (E_RNA) where: Base-Base interactions energy: -18.462 where: short stacking energy: -18.462 Base-Backbone interact. energy: 0.587 local terms energy: -27.916463 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -5.701 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -3.458 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: 8, replica: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -51.885429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.885429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.885429 (E_RNA) where: Base-Base interactions energy: -26.269 where: short stacking energy: -13.529 Base-Backbone interact. energy: -0.103 local terms energy: -25.513196 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: 1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -45.917553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.917553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.917553 (E_RNA) where: Base-Base interactions energy: -14.661 where: short stacking energy: -14.661 Base-Backbone interact. energy: -0.002 local terms energy: -31.255383 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -6.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -45.576387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.576387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.576387 (E_RNA) where: Base-Base interactions energy: -19.000 where: short stacking energy: -19.000 Base-Backbone interact. energy: -0.007 local terms energy: -26.568735 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: 0.000 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -65.480830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.480830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.480830 (E_RNA) where: Base-Base interactions energy: -28.679 where: short stacking energy: -28.679 Base-Backbone interact. energy: -0.000 local terms energy: -36.801901 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -7.560 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: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -59.276893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.276893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.276893 (E_RNA) where: Base-Base interactions energy: -20.713 where: short stacking energy: -20.713 Base-Backbone interact. energy: -0.000 local terms energy: -38.563284 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -5.836 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: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -75.561685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.561685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.561685 (E_RNA) where: Base-Base interactions energy: -39.639 where: short stacking energy: -22.363 Base-Backbone interact. energy: 1.008 local terms energy: -36.930491 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -5.429 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: 9 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -45.768681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.768681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.768681 (E_RNA) where: Base-Base interactions energy: -17.428 where: short stacking energy: -17.428 Base-Backbone interact. energy: -0.000 local terms energy: -28.340437 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -5.672 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -54.401725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.401725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.401725 (E_RNA) where: Base-Base interactions energy: -22.028 where: short stacking energy: -22.028 Base-Backbone interact. energy: -0.001 local terms energy: -32.373134 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -3.038 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: 6, replica: 10 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -50.135497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.135497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.135497 (E_RNA) where: Base-Base interactions energy: -23.629 where: short stacking energy: -23.629 Base-Backbone interact. energy: -0.001 local terms energy: -26.506150 where: bonds (distance) C4'-P energy: -5.009 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -49.557275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.557275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.557275 (E_RNA) where: Base-Base interactions energy: -23.194 where: short stacking energy: -23.194 Base-Backbone interact. energy: -0.086 local terms energy: -26.277360 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -2.120 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: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -45.660448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.660448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.660448 (E_RNA) where: Base-Base interactions energy: -19.757 where: short stacking energy: -19.757 Base-Backbone interact. energy: -0.034 local terms energy: -25.869636 where: bonds (distance) C4'-P energy: -6.987 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -47.939962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.939962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.939962 (E_RNA) where: Base-Base interactions energy: -19.557 where: short stacking energy: -19.557 Base-Backbone interact. energy: -0.606 local terms energy: -27.776981 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -5.434 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -45.823716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.823716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.823716 (E_RNA) where: Base-Base interactions energy: -13.913 where: short stacking energy: -13.913 Base-Backbone interact. energy: -0.030 local terms energy: -31.881138 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -52.941220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.941220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.941220 (E_RNA) where: Base-Base interactions energy: -18.467 where: short stacking energy: -18.467 Base-Backbone interact. energy: -0.676 local terms energy: -33.798842 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -6.774 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: 2, replica: 3 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -66.586367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.586367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.586367 (E_RNA) where: Base-Base interactions energy: -30.254 where: short stacking energy: -29.213 Base-Backbone interact. energy: -0.000 local terms energy: -36.332052 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -8.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -59.988380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.988380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.988380 (E_RNA) where: Base-Base interactions energy: -27.836 where: short stacking energy: -27.836 Base-Backbone interact. energy: -0.000 local terms energy: -32.152019 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -2.833 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: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -54.840738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.840738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.840738 (E_RNA) where: Base-Base interactions energy: -21.328 where: short stacking energy: -21.328 Base-Backbone interact. energy: -0.000 local terms energy: -33.512548 where: bonds (distance) C4'-P energy: -4.612 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -6.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -53.171552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.171552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.171552 (E_RNA) where: Base-Base interactions energy: -22.952 where: short stacking energy: -22.952 Base-Backbone interact. energy: -0.001 local terms energy: -30.218704 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -5.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -46.687806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.687806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.687806 (E_RNA) where: Base-Base interactions energy: -18.650 where: short stacking energy: -7.702 Base-Backbone interact. energy: -0.685 local terms energy: -27.352540 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: 1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -51.859165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.859165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.859165 (E_RNA) where: Base-Base interactions energy: -27.653 where: short stacking energy: -12.080 Base-Backbone interact. energy: -0.064 local terms energy: -24.142454 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -2.673 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -46.711233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.711233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.711233 (E_RNA) where: Base-Base interactions energy: -16.685 where: short stacking energy: -16.685 Base-Backbone interact. energy: -0.041 local terms energy: -29.985345 where: bonds (distance) C4'-P energy: -5.895 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -36.694744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.694744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.694744 (E_RNA) where: Base-Base interactions energy: -10.742 where: short stacking energy: -10.742 Base-Backbone interact. energy: -0.240 local terms energy: -25.712466 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: 0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -52.604489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.604489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.604489 (E_RNA) where: Base-Base interactions energy: -19.278 where: short stacking energy: -18.913 Base-Backbone interact. energy: -0.020 local terms energy: -33.306377 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -64.514996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.514996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.514996 (E_RNA) where: Base-Base interactions energy: -29.109 where: short stacking energy: -26.406 Base-Backbone interact. energy: -0.001 local terms energy: -35.404036 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -74.695169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.695169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.695169 (E_RNA) where: Base-Base interactions energy: -41.684 where: short stacking energy: -30.024 Base-Backbone interact. energy: -0.000 local terms energy: -33.010885 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -6.596 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -61.923970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.923970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.923970 (E_RNA) where: Base-Base interactions energy: -24.384 where: short stacking energy: -24.384 Base-Backbone interact. energy: -0.001 local terms energy: -37.539479 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -7.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -54.055970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.055970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.055970 (E_RNA) where: Base-Base interactions energy: -22.433 where: short stacking energy: -22.433 Base-Backbone interact. energy: -0.025 local terms energy: -31.597961 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -52.875386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.875386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.875386 (E_RNA) where: Base-Base interactions energy: -21.145 where: short stacking energy: -21.145 Base-Backbone interact. energy: -0.010 local terms energy: -31.720462 where: bonds (distance) C4'-P energy: -4.243 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -7.646 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: 6, replica: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -42.906281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.906281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.906281 (E_RNA) where: Base-Base interactions energy: -18.264 where: short stacking energy: -18.264 Base-Backbone interact. energy: -0.048 local terms energy: -24.593711 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -2.252 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -51.876445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.876445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.876445 (E_RNA) where: Base-Base interactions energy: -20.947 where: short stacking energy: -20.947 Base-Backbone interact. energy: -0.000 local terms energy: -30.929490 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -6.092 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: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -41.824863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.824863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.824863 (E_RNA) where: Base-Base interactions energy: -12.847 where: short stacking energy: -12.847 Base-Backbone interact. energy: -0.057 local terms energy: -28.921048 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -1.351 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -39.162223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.162223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.162223 (E_RNA) where: Base-Base interactions energy: -11.717 where: short stacking energy: -11.172 Base-Backbone interact. energy: -0.232 local terms energy: -27.212842 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.300 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: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -47.664374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.664374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.664374 (E_RNA) where: Base-Base interactions energy: -17.652 where: short stacking energy: -17.652 Base-Backbone interact. energy: -0.071 local terms energy: -29.941028 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -2.181 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: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -65.702391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.702391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.702391 (E_RNA) where: Base-Base interactions energy: -27.615 where: short stacking energy: -27.615 Base-Backbone interact. energy: -0.000 local terms energy: -38.087414 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -4.282 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: 2, replica: 2 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -65.706865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.706865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.706865 (E_RNA) where: Base-Base interactions energy: -30.259 where: short stacking energy: -29.660 Base-Backbone interact. energy: -0.563 local terms energy: -34.885151 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -8.636 flat angles P-C4'-P energy: -3.236 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: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -52.794131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.794131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.794131 (E_RNA) where: Base-Base interactions energy: -19.312 where: short stacking energy: -19.312 Base-Backbone interact. energy: -0.135 local terms energy: -33.346358 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -57.460337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.460337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.460337 (E_RNA) where: Base-Base interactions energy: -21.992 where: short stacking energy: -21.992 Base-Backbone interact. energy: -0.000 local terms energy: -35.468133 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -6.773 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: 9 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -51.681425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.681425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.681425 (E_RNA) where: Base-Base interactions energy: -22.685 where: short stacking energy: -21.996 Base-Backbone interact. energy: -0.033 local terms energy: -28.962775 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -6.317 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: 6, replica: 10 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -47.516130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.516130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.516130 (E_RNA) where: Base-Base interactions energy: -17.200 where: short stacking energy: -17.200 Base-Backbone interact. energy: -0.000 local terms energy: -30.315433 where: bonds (distance) C4'-P energy: -8.515 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -45.536778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.536778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.536778 (E_RNA) where: Base-Base interactions energy: -18.569 where: short stacking energy: -14.679 Base-Backbone interact. energy: -1.254 local terms energy: -25.713591 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -45.554804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.554804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.554804 (E_RNA) where: Base-Base interactions energy: -19.119 where: short stacking energy: -18.174 Base-Backbone interact. energy: -0.023 local terms energy: -26.412911 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -2.599 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -49.903817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.903817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.903817 (E_RNA) where: Base-Base interactions energy: -23.635 where: short stacking energy: -23.635 Base-Backbone interact. energy: -0.001 local terms energy: -26.267428 where: bonds (distance) C4'-P energy: -2.909 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -43.735638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.735638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.735638 (E_RNA) where: Base-Base interactions energy: -10.218 where: short stacking energy: -10.218 Base-Backbone interact. energy: 0.707 local terms energy: -34.224310 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -5.007 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: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -72.663551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.663551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.663551 (E_RNA) where: Base-Base interactions energy: -34.433 where: short stacking energy: -34.433 Base-Backbone interact. energy: -0.000 local terms energy: -38.230330 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -6.204 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: 2, replica: 2 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -71.879332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.879332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.879332 (E_RNA) where: Base-Base interactions energy: -33.388 where: short stacking energy: -23.488 Base-Backbone interact. energy: -0.000 local terms energy: -38.490871 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -7.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -62.701210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.701210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.701210 (E_RNA) where: Base-Base interactions energy: -23.852 where: short stacking energy: -23.852 Base-Backbone interact. energy: -0.000 local terms energy: -38.849285 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -7.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -60.766098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.766098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.766098 (E_RNA) where: Base-Base interactions energy: -25.504 where: short stacking energy: -25.504 Base-Backbone interact. energy: -0.000 local terms energy: -35.262102 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -6.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -57.893503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.893503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.893503 (E_RNA) where: Base-Base interactions energy: -28.446 where: short stacking energy: -28.446 Base-Backbone interact. energy: 1.029 local terms energy: -30.475968 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -6.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -50.165038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.165038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.165038 (E_RNA) where: Base-Base interactions energy: -20.008 where: short stacking energy: -20.008 Base-Backbone interact. energy: -0.116 local terms energy: -30.041209 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -53.284071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.284071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.284071 (E_RNA) where: Base-Base interactions energy: -20.004 where: short stacking energy: -16.905 Base-Backbone interact. energy: -0.000 local terms energy: -33.279473 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -43.126882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.126882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.126882 (E_RNA) where: Base-Base interactions energy: -18.633 where: short stacking energy: -18.633 Base-Backbone interact. energy: -0.006 local terms energy: -24.487952 where: bonds (distance) C4'-P energy: -3.557 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -47.504407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.504407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.504407 (E_RNA) where: Base-Base interactions energy: -19.448 where: short stacking energy: -13.042 Base-Backbone interact. energy: -0.009 local terms energy: -28.047576 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -2.501 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: 6 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -42.459250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.459250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.459250 (E_RNA) where: Base-Base interactions energy: -16.591 where: short stacking energy: -16.591 Base-Backbone interact. energy: -0.320 local terms energy: -25.547409 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -1.587 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: 1, replica: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -56.647797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.647797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.647797 (E_RNA) where: Base-Base interactions energy: -22.468 where: short stacking energy: -22.468 Base-Backbone interact. energy: -0.002 local terms energy: -34.177796 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -9.128 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -4.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -73.563772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.563772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.563772 (E_RNA) where: Base-Base interactions energy: -40.542 where: short stacking energy: -24.162 Base-Backbone interact. energy: -0.064 local terms energy: -32.957178 where: bonds (distance) C4'-P energy: -8.060 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -4.241 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: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -54.134656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.134656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.134656 (E_RNA) where: Base-Base interactions energy: -20.588 where: short stacking energy: -20.588 Base-Backbone interact. energy: -0.084 local terms energy: -33.462204 where: bonds (distance) C4'-P energy: -7.509 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -52.161235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.161235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.161235 (E_RNA) where: Base-Base interactions energy: -20.996 where: short stacking energy: -20.996 Base-Backbone interact. energy: -0.096 local terms energy: -31.068766 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -4.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -52.297432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.297432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.297432 (E_RNA) where: Base-Base interactions energy: -24.265 where: short stacking energy: -24.265 Base-Backbone interact. energy: -0.036 local terms energy: -27.996823 where: bonds (distance) C4'-P energy: -3.138 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.895 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -46.784359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.784359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.784359 (E_RNA) where: Base-Base interactions energy: -19.918 where: short stacking energy: -19.918 Base-Backbone interact. energy: -0.000 local terms energy: -26.866302 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -47.650726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.650726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.650726 (E_RNA) where: Base-Base interactions energy: -18.468 where: short stacking energy: -18.468 Base-Backbone interact. energy: -0.008 local terms energy: -29.174186 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -6.060 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -58.797299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.797299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.797299 (E_RNA) where: Base-Base interactions energy: -24.720 where: short stacking energy: -24.720 Base-Backbone interact. energy: -0.100 local terms energy: -33.977791 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -8.041 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -6.026 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: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -43.400864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.400864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.400864 (E_RNA) where: Base-Base interactions energy: -13.324 where: short stacking energy: -13.324 Base-Backbone interact. energy: -0.001 local terms energy: -30.075968 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -44.369097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.369097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.369097 (E_RNA) where: Base-Base interactions energy: -16.355 where: short stacking energy: -16.355 Base-Backbone interact. energy: -0.145 local terms energy: -27.869347 where: bonds (distance) C4'-P energy: -5.041 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -76.589016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.589016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.589016 (E_RNA) where: Base-Base interactions energy: -42.635 where: short stacking energy: -26.153 Base-Backbone interact. energy: -0.001 local terms energy: -33.953268 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -8.509 flat angles P-C4'-P energy: -6.486 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: 2, replica: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -55.911498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.911498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.911498 (E_RNA) where: Base-Base interactions energy: -20.516 where: short stacking energy: -20.516 Base-Backbone interact. energy: -0.087 local terms energy: -35.308131 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -5.790 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: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -53.698388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.698388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.698388 (E_RNA) where: Base-Base interactions energy: -22.242 where: short stacking energy: -21.839 Base-Backbone interact. energy: -0.000 local terms energy: -31.455893 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -51.172040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.172040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.172040 (E_RNA) where: Base-Base interactions energy: -20.594 where: short stacking energy: -17.793 Base-Backbone interact. energy: -0.149 local terms energy: -30.429340 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.022 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -49.292733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.292733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.292733 (E_RNA) where: Base-Base interactions energy: -20.678 where: short stacking energy: -19.841 Base-Backbone interact. energy: -0.180 local terms energy: -28.434587 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -55.537616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.537616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.537616 (E_RNA) where: Base-Base interactions energy: -19.906 where: short stacking energy: -19.593 Base-Backbone interact. energy: -0.000 local terms energy: -35.631314 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -48.282900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.282900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.282900 (E_RNA) where: Base-Base interactions energy: -21.385 where: short stacking energy: -21.385 Base-Backbone interact. energy: -0.044 local terms energy: -26.854406 where: bonds (distance) C4'-P energy: -3.540 bonds (distance) P-C4' energy: -5.739 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -4.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -44.646469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.646469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.646469 (E_RNA) where: Base-Base interactions energy: -16.487 where: short stacking energy: -16.487 Base-Backbone interact. energy: -0.099 local terms energy: -28.060373 where: bonds (distance) C4'-P energy: -6.003 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -3.093 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: 6 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -44.439206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.439206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.439206 (E_RNA) where: Base-Base interactions energy: -18.232 where: short stacking energy: -18.232 Base-Backbone interact. energy: 0.608 local terms energy: -26.815251 where: bonds (distance) C4'-P energy: -4.997 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -39.390536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.390536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.390536 (E_RNA) where: Base-Base interactions energy: -10.717 where: short stacking energy: -10.717 Base-Backbone interact. energy: -0.099 local terms energy: -28.574586 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -0.834 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: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -69.699935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.699935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.699935 (E_RNA) where: Base-Base interactions energy: -40.640 where: short stacking energy: -16.872 Base-Backbone interact. energy: -0.135 local terms energy: -28.924863 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -53.122028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.122028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.122028 (E_RNA) where: Base-Base interactions energy: -15.839 where: short stacking energy: -15.839 Base-Backbone interact. energy: -0.080 local terms energy: -37.203030 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -7.114 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: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -64.025799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.025799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.025799 (E_RNA) where: Base-Base interactions energy: -27.658 where: short stacking energy: -27.658 Base-Backbone interact. energy: -0.000 local terms energy: -36.368105 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -5.753 tors. eta vs tors. theta energy: -8.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -50.786631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.786631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.786631 (E_RNA) where: Base-Base interactions energy: -20.215 where: short stacking energy: -20.215 Base-Backbone interact. energy: -0.061 local terms energy: -30.510634 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -1.244 tors. eta vs tors. theta energy: -3.762 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: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -47.109501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.109501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.109501 (E_RNA) where: Base-Base interactions energy: -15.686 where: short stacking energy: -15.201 Base-Backbone interact. energy: -0.078 local terms energy: -31.345742 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -1.934 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: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -59.851277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.851277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.851277 (E_RNA) where: Base-Base interactions energy: -25.762 where: short stacking energy: -13.806 Base-Backbone interact. energy: -0.436 local terms energy: -33.653144 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -48.175271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.175271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.175271 (E_RNA) where: Base-Base interactions energy: -21.077 where: short stacking energy: -21.077 Base-Backbone interact. energy: -0.017 local terms energy: -27.080935 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.664 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -51.059973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.059973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.059973 (E_RNA) where: Base-Base interactions energy: -24.151 where: short stacking energy: -15.718 Base-Backbone interact. energy: -0.029 local terms energy: -26.880043 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -5.731 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -2.139 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -57.183876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.183876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.183876 (E_RNA) where: Base-Base interactions energy: -32.506 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.057 local terms energy: -24.620545 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -2.800 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: 10, replica: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -41.856189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.856189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.856189 (E_RNA) where: Base-Base interactions energy: -17.254 where: short stacking energy: -11.831 Base-Backbone interact. energy: -0.091 local terms energy: -24.511237 where: bonds (distance) C4'-P energy: -5.270 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -3.799 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: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -65.409031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.409031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.409031 (E_RNA) where: Base-Base interactions energy: -28.814 where: short stacking energy: -22.051 Base-Backbone interact. energy: -0.001 local terms energy: -36.594669 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -7.533 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -7.061 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: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -56.786936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.786936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.786936 (E_RNA) where: Base-Base interactions energy: -26.912 where: short stacking energy: -20.742 Base-Backbone interact. energy: -0.001 local terms energy: -29.873954 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -54.972622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.972622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.972622 (E_RNA) where: Base-Base interactions energy: -24.835 where: short stacking energy: -24.835 Base-Backbone interact. energy: -0.013 local terms energy: -30.124240 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -6.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -52.044250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.044250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.044250 (E_RNA) where: Base-Base interactions energy: -17.680 where: short stacking energy: -17.680 Base-Backbone interact. energy: -0.000 local terms energy: -34.363947 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -6.032 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: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -43.934177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.934177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.934177 (E_RNA) where: Base-Base interactions energy: -10.190 where: short stacking energy: -11.690 Base-Backbone interact. energy: -0.350 local terms energy: -33.394143 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -6.989 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: 6, replica: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -54.364027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.364027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.364027 (E_RNA) where: Base-Base interactions energy: -20.501 where: short stacking energy: -18.158 Base-Backbone interact. energy: -0.002 local terms energy: -33.861314 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -6.396 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: 7, replica: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -45.194386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.194386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.194386 (E_RNA) where: Base-Base interactions energy: -18.395 where: short stacking energy: -18.395 Base-Backbone interact. energy: -0.000 local terms energy: -26.799338 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -1.053 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: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -40.275120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.275120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.275120 (E_RNA) where: Base-Base interactions energy: -16.012 where: short stacking energy: -14.933 Base-Backbone interact. energy: -0.005 local terms energy: -24.258720 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -1.259 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -48.283581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.283581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.283581 (E_RNA) where: Base-Base interactions energy: -16.995 where: short stacking energy: -16.995 Base-Backbone interact. energy: -0.009 local terms energy: -31.279155 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -6.922 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -37.439823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.439823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.439823 (E_RNA) where: Base-Base interactions energy: -16.865 where: short stacking energy: -16.552 Base-Backbone interact. energy: -0.101 local terms energy: -20.473663 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: 0.823 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: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -74.033040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.033040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.033040 (E_RNA) where: Base-Base interactions energy: -38.955 where: short stacking energy: -17.945 Base-Backbone interact. energy: -1.766 local terms energy: -33.312238 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -59.085983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.085983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.085983 (E_RNA) where: Base-Base interactions energy: -22.027 where: short stacking energy: -22.027 Base-Backbone interact. energy: -0.004 local terms energy: -37.055261 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -8.397 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -61.328937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.328937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.328937 (E_RNA) where: Base-Base interactions energy: -23.884 where: short stacking energy: -23.884 Base-Backbone interact. energy: -0.004 local terms energy: -37.440622 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -5.800 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: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -58.349543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.349543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.349543 (E_RNA) where: Base-Base interactions energy: -22.838 where: short stacking energy: -22.838 Base-Backbone interact. energy: -0.000 local terms energy: -35.511663 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -5.515 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: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -55.201386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.201386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.201386 (E_RNA) where: Base-Base interactions energy: -19.672 where: short stacking energy: -19.672 Base-Backbone interact. energy: -0.013 local terms energy: -35.516585 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -8.089 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: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -48.225221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.225221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.225221 (E_RNA) where: Base-Base interactions energy: -15.580 where: short stacking energy: -15.144 Base-Backbone interact. energy: -0.004 local terms energy: -32.640736 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -59.012687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.012687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.012687 (E_RNA) where: Base-Base interactions energy: -26.975 where: short stacking energy: -17.344 Base-Backbone interact. energy: -0.040 local terms energy: -31.997440 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -46.510675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.510675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.510675 (E_RNA) where: Base-Base interactions energy: -18.901 where: short stacking energy: -16.728 Base-Backbone interact. energy: -0.021 local terms energy: -27.589192 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -5.325 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: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -42.735344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.735344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.735344 (E_RNA) where: Base-Base interactions energy: -15.589 where: short stacking energy: -15.589 Base-Backbone interact. energy: -0.054 local terms energy: -27.093245 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -40.178913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.178913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.178913 (E_RNA) where: Base-Base interactions energy: -13.641 where: short stacking energy: -13.641 Base-Backbone interact. energy: -0.023 local terms energy: -26.515213 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -1.766 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: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -65.302225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.302225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.302225 (E_RNA) where: Base-Base interactions energy: -32.553 where: short stacking energy: -18.624 Base-Backbone interact. energy: -0.013 local terms energy: -32.735781 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -55.999455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.999455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.999455 (E_RNA) where: Base-Base interactions energy: -22.014 where: short stacking energy: -22.014 Base-Backbone interact. energy: -0.082 local terms energy: -33.902934 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -6.040 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: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -56.048367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.048367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.048367 (E_RNA) where: Base-Base interactions energy: -22.280 where: short stacking energy: -22.280 Base-Backbone interact. energy: -0.091 local terms energy: -33.677400 where: bonds (distance) C4'-P energy: -6.391 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -5.852 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: 4, replica: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -59.445592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.445592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.445592 (E_RNA) where: Base-Base interactions energy: -28.643 where: short stacking energy: -24.657 Base-Backbone interact. energy: -0.006 local terms energy: -30.797018 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -2.553 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: 5, replica: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -52.571667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.571667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.571667 (E_RNA) where: Base-Base interactions energy: -24.974 where: short stacking energy: -20.544 Base-Backbone interact. energy: -0.002 local terms energy: -27.595180 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -2.134 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: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -46.650436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.650436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.650436 (E_RNA) where: Base-Base interactions energy: -16.969 where: short stacking energy: -16.969 Base-Backbone interact. energy: 0.065 local terms energy: -29.746864 where: bonds (distance) C4'-P energy: -6.756 bonds (distance) P-C4' energy: -5.637 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -50.891189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.891189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.891189 (E_RNA) where: Base-Base interactions energy: -18.748 where: short stacking energy: -18.748 Base-Backbone interact. energy: -0.010 local terms energy: -32.133617 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -53.201582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.201582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.201582 (E_RNA) where: Base-Base interactions energy: -23.668 where: short stacking energy: -23.668 Base-Backbone interact. energy: -0.002 local terms energy: -29.531887 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -3.063 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -7.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -41.821613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.821613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.821613 (E_RNA) where: Base-Base interactions energy: -10.617 where: short stacking energy: -10.617 Base-Backbone interact. energy: -0.001 local terms energy: -31.203474 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -36.060554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.060554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.060554 (E_RNA) where: Base-Base interactions energy: -13.588 where: short stacking energy: -12.781 Base-Backbone interact. energy: 3.489 local terms energy: -25.961674 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -0.946 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: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -64.267821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.267821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.267821 (E_RNA) where: Base-Base interactions energy: -27.048 where: short stacking energy: -26.670 Base-Backbone interact. energy: 0.067 local terms energy: -37.286705 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -7.219 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: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -62.270373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.270373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.270373 (E_RNA) where: Base-Base interactions energy: -25.742 where: short stacking energy: -24.460 Base-Backbone interact. energy: -0.001 local terms energy: -36.527019 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -6.586 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -60.640154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.640154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.640154 (E_RNA) where: Base-Base interactions energy: -25.777 where: short stacking energy: -21.759 Base-Backbone interact. energy: 0.320 local terms energy: -35.183123 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -4.749 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: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -52.430021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.430021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.430021 (E_RNA) where: Base-Base interactions energy: -17.896 where: short stacking energy: -14.077 Base-Backbone interact. energy: -0.132 local terms energy: -34.401448 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -8.519 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -59.737065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.737065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.737065 (E_RNA) where: Base-Base interactions energy: -30.247 where: short stacking energy: -19.431 Base-Backbone interact. energy: -0.017 local terms energy: -29.472401 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -3.093 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -49.263331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.263331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.263331 (E_RNA) where: Base-Base interactions energy: -19.628 where: short stacking energy: -18.991 Base-Backbone interact. energy: -0.001 local terms energy: -29.634847 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -52.271069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.271069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.271069 (E_RNA) where: Base-Base interactions energy: -20.902 where: short stacking energy: -20.902 Base-Backbone interact. energy: -0.026 local terms energy: -31.343151 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -5.268 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -46.937715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.937715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.937715 (E_RNA) where: Base-Base interactions energy: -18.264 where: short stacking energy: -18.264 Base-Backbone interact. energy: -0.037 local terms energy: -28.636818 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -37.161750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.161750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.161750 (E_RNA) where: Base-Base interactions energy: -15.452 where: short stacking energy: -15.452 Base-Backbone interact. energy: -0.002 local terms energy: -21.707093 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: 0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -35.986059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.986059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.986059 (E_RNA) where: Base-Base interactions energy: -6.247 where: short stacking energy: -6.247 Base-Backbone interact. energy: -0.164 local terms energy: -29.574791 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -67.761494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.761494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.761494 (E_RNA) where: Base-Base interactions energy: -30.917 where: short stacking energy: -27.741 Base-Backbone interact. energy: -0.016 local terms energy: -36.827865 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -7.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -65.140913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.140913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.140913 (E_RNA) where: Base-Base interactions energy: -29.108 where: short stacking energy: -20.911 Base-Backbone interact. energy: 0.044 local terms energy: -36.077530 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -5.838 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: 3, replica: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -56.651212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.651212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.651212 (E_RNA) where: Base-Base interactions energy: -22.982 where: short stacking energy: -22.982 Base-Backbone interact. energy: -0.126 local terms energy: -33.543710 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -57.789490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.789490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.789490 (E_RNA) where: Base-Base interactions energy: -26.937 where: short stacking energy: -18.562 Base-Backbone interact. energy: 0.666 local terms energy: -31.519295 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -6.055 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: 5, replica: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -58.027938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.027938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.027938 (E_RNA) where: Base-Base interactions energy: -25.076 where: short stacking energy: -22.377 Base-Backbone interact. energy: -0.041 local terms energy: -32.910795 where: bonds (distance) C4'-P energy: -6.698 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -5.542 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: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -43.345309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.345309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.345309 (E_RNA) where: Base-Base interactions energy: -15.714 where: short stacking energy: -13.014 Base-Backbone interact. energy: -0.073 local terms energy: -27.558903 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -0.350 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: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -43.664898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.664898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.664898 (E_RNA) where: Base-Base interactions energy: -15.320 where: short stacking energy: -15.320 Base-Backbone interact. energy: -0.032 local terms energy: -28.313200 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: 0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -47.467908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.467908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.467908 (E_RNA) where: Base-Base interactions energy: -18.902 where: short stacking energy: -18.790 Base-Backbone interact. energy: -0.001 local terms energy: -28.565116 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -45.358439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.358439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.358439 (E_RNA) where: Base-Base interactions energy: -14.585 where: short stacking energy: -14.585 Base-Backbone interact. energy: -0.002 local terms energy: -30.771848 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -49.570434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.570434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.570434 (E_RNA) where: Base-Base interactions energy: -19.549 where: short stacking energy: -19.549 Base-Backbone interact. energy: -0.082 local terms energy: -29.938674 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -76.241317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.241317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.241317 (E_RNA) where: Base-Base interactions energy: -37.436 where: short stacking energy: -37.436 Base-Backbone interact. energy: -0.000 local terms energy: -38.805506 where: bonds (distance) C4'-P energy: -6.679 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -9.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -57.695872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.695872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.695872 (E_RNA) where: Base-Base interactions energy: -22.517 where: short stacking energy: -22.517 Base-Backbone interact. energy: -0.035 local terms energy: -35.143964 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.886 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -5.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -66.380570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.380570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.380570 (E_RNA) where: Base-Base interactions energy: -31.551 where: short stacking energy: -31.551 Base-Backbone interact. energy: -0.000 local terms energy: -34.829316 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -8.176 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -7.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -70.609941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.609941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.609941 (E_RNA) where: Base-Base interactions energy: -32.513 where: short stacking energy: -27.970 Base-Backbone interact. energy: -0.001 local terms energy: -38.095978 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -10.248 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: 1 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -55.730525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.730525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.730525 (E_RNA) where: Base-Base interactions energy: -23.220 where: short stacking energy: -23.220 Base-Backbone interact. energy: -0.063 local terms energy: -32.447680 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -65.934880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.934880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.934880 (E_RNA) where: Base-Base interactions energy: -30.679 where: short stacking energy: -30.679 Base-Backbone interact. energy: -0.000 local terms energy: -35.255991 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -7.073 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -8.377 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: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -53.983823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.983823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.983823 (E_RNA) where: Base-Base interactions energy: -24.070 where: short stacking energy: -24.070 Base-Backbone interact. energy: -0.000 local terms energy: -29.913445 where: bonds (distance) C4'-P energy: -5.092 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -2.645 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: 8, replica: 4 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -45.903058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.903058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.903058 (E_RNA) where: Base-Base interactions energy: -17.077 where: short stacking energy: -17.077 Base-Backbone interact. energy: -0.021 local terms energy: -28.804858 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -39.977555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.977555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.977555 (E_RNA) where: Base-Base interactions energy: -15.446 where: short stacking energy: -15.446 Base-Backbone interact. energy: -0.002 local terms energy: -24.528696 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -40.336522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.336522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.336522 (E_RNA) where: Base-Base interactions energy: -10.332 where: short stacking energy: -10.280 Base-Backbone interact. energy: -0.001 local terms energy: -30.003699 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -6.964 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -6.943 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -70.850543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.850543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.850543 (E_RNA) where: Base-Base interactions energy: -39.151 where: short stacking energy: -25.429 Base-Backbone interact. energy: -0.036 local terms energy: -31.663782 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -6.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -68.888217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.888217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.888217 (E_RNA) where: Base-Base interactions energy: -32.480 where: short stacking energy: -25.680 Base-Backbone interact. energy: -0.005 local terms energy: -36.402753 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -5.456 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: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -56.300615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.300615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.300615 (E_RNA) where: Base-Base interactions energy: -24.923 where: short stacking energy: -24.923 Base-Backbone interact. energy: -0.001 local terms energy: -31.376238 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -56.807858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.807858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.807858 (E_RNA) where: Base-Base interactions energy: -24.767 where: short stacking energy: -24.767 Base-Backbone interact. energy: -0.036 local terms energy: -32.005341 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -5.631 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: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -59.996231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.996231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.996231 (E_RNA) where: Base-Base interactions energy: -30.915 where: short stacking energy: -19.282 Base-Backbone interact. energy: -0.013 local terms energy: -29.068133 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -6.294 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -56.467119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.467119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.467119 (E_RNA) where: Base-Base interactions energy: -23.619 where: short stacking energy: -23.203 Base-Backbone interact. energy: 0.336 local terms energy: -33.184198 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -47.137581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.137581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.137581 (E_RNA) where: Base-Base interactions energy: -16.474 where: short stacking energy: -16.474 Base-Backbone interact. energy: -0.021 local terms energy: -30.641932 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -43.994768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.994768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.994768 (E_RNA) where: Base-Base interactions energy: -19.150 where: short stacking energy: -12.591 Base-Backbone interact. energy: -0.198 local terms energy: -24.647002 where: bonds (distance) C4'-P energy: -8.072 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -1.980 tors. eta vs tors. theta energy: 0.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -42.026261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.026261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.026261 (E_RNA) where: Base-Base interactions energy: -14.296 where: short stacking energy: -14.296 Base-Backbone interact. energy: -0.107 local terms energy: -27.622478 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -46.147034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.147034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.147034 (E_RNA) where: Base-Base interactions energy: -18.686 where: short stacking energy: -18.686 Base-Backbone interact. energy: -0.150 local terms energy: -27.310538 where: bonds (distance) C4'-P energy: -2.382 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -5.162 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: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -74.162597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.162597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.162597 (E_RNA) where: Base-Base interactions energy: -39.318 where: short stacking energy: -23.394 Base-Backbone interact. energy: -0.050 local terms energy: -34.794653 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.441 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -58.200669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.200669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.200669 (E_RNA) where: Base-Base interactions energy: -24.714 where: short stacking energy: -21.741 Base-Backbone interact. energy: -1.318 local terms energy: -32.168964 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -7.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -69.664685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.664685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.664685 (E_RNA) where: Base-Base interactions energy: -42.809 where: short stacking energy: -28.655 Base-Backbone interact. energy: -0.045 local terms energy: -26.810589 where: bonds (distance) C4'-P energy: -4.910 bonds (distance) P-C4' energy: -6.697 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -0.694 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -60.321845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.321845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.321845 (E_RNA) where: Base-Base interactions energy: -23.221 where: short stacking energy: -23.221 Base-Backbone interact. energy: -0.000 local terms energy: -37.100550 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -9.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -50.013238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.013238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.013238 (E_RNA) where: Base-Base interactions energy: -16.508 where: short stacking energy: -16.508 Base-Backbone interact. energy: -0.247 local terms energy: -33.258043 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -59.493886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.493886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.493886 (E_RNA) where: Base-Base interactions energy: -23.629 where: short stacking energy: -23.629 Base-Backbone interact. energy: -0.001 local terms energy: -35.863921 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -8.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -43.423641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.423641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.423641 (E_RNA) where: Base-Base interactions energy: -17.059 where: short stacking energy: -17.059 Base-Backbone interact. energy: -0.001 local terms energy: -26.363582 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -44.724052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.724052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.724052 (E_RNA) where: Base-Base interactions energy: -17.645 where: short stacking energy: -17.645 Base-Backbone interact. energy: -0.158 local terms energy: -26.920562 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -5.953 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -2.049 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -51.548888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.548888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.548888 (E_RNA) where: Base-Base interactions energy: -24.037 where: short stacking energy: -21.315 Base-Backbone interact. energy: -0.054 local terms energy: -27.457540 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -2.361 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: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -41.722252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.722252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.722252 (E_RNA) where: Base-Base interactions energy: -19.090 where: short stacking energy: -19.090 Base-Backbone interact. energy: -0.001 local terms energy: -22.630916 where: bonds (distance) C4'-P energy: -5.468 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -72.187947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.187947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.187947 (E_RNA) where: Base-Base interactions energy: -40.211 where: short stacking energy: -19.653 Base-Backbone interact. energy: 0.074 local terms energy: -32.051531 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -3.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -68.589806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.589806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.589806 (E_RNA) where: Base-Base interactions energy: -41.213 where: short stacking energy: -20.957 Base-Backbone interact. energy: -0.017 local terms energy: -27.359275 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -70.401478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.401478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.401478 (E_RNA) where: Base-Base interactions energy: -44.820 where: short stacking energy: -22.241 Base-Backbone interact. energy: -0.160 local terms energy: -25.421738 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -6.144 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -2.801 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: 1 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -58.643615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.643615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.643615 (E_RNA) where: Base-Base interactions energy: -26.605 where: short stacking energy: -26.240 Base-Backbone interact. energy: -0.058 local terms energy: -31.981413 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -2.933 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -7.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -61.174451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.174451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.174451 (E_RNA) where: Base-Base interactions energy: -26.405 where: short stacking energy: -26.405 Base-Backbone interact. energy: -0.000 local terms energy: -34.768934 where: bonds (distance) C4'-P energy: -7.678 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -8.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -48.199292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.199292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.199292 (E_RNA) where: Base-Base interactions energy: -17.541 where: short stacking energy: -17.541 Base-Backbone interact. energy: -0.002 local terms energy: -30.656396 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -5.097 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: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -42.679622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.679622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.679622 (E_RNA) where: Base-Base interactions energy: -20.377 where: short stacking energy: -14.401 Base-Backbone interact. energy: -0.098 local terms energy: -22.204819 where: bonds (distance) C4'-P energy: -2.864 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -1.382 tors. eta vs tors. theta energy: -2.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -41.503123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.503123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.503123 (E_RNA) where: Base-Base interactions energy: -15.668 where: short stacking energy: -15.668 Base-Backbone interact. energy: -0.005 local terms energy: -25.830189 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -0.478 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: 9, replica: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -49.783434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.783434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.783434 (E_RNA) where: Base-Base interactions energy: -18.180 where: short stacking energy: -18.180 Base-Backbone interact. energy: -0.011 local terms energy: -31.593372 where: bonds (distance) C4'-P energy: -4.355 bonds (distance) P-C4' energy: -7.743 flat angles C4'-P-C4' energy: -8.176 flat angles P-C4'-P energy: -6.174 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: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -43.738230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.738230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.738230 (E_RNA) where: Base-Base interactions energy: -15.648 where: short stacking energy: -14.552 Base-Backbone interact. energy: -0.057 local terms energy: -28.033389 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -3.745 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: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -65.702763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.702763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.702763 (E_RNA) where: Base-Base interactions energy: -27.478 where: short stacking energy: -27.478 Base-Backbone interact. energy: -0.000 local terms energy: -38.224901 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -68.860115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.860115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.860115 (E_RNA) where: Base-Base interactions energy: -33.534 where: short stacking energy: -23.606 Base-Backbone interact. energy: -0.001 local terms energy: -35.324577 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -6.106 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: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -63.375304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.375304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.375304 (E_RNA) where: Base-Base interactions energy: -32.530 where: short stacking energy: -25.778 Base-Backbone interact. energy: -0.001 local terms energy: -30.844229 where: bonds (distance) C4'-P energy: -6.364 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -3.211 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: 4, replica: 7 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -59.411785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.411785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.411785 (E_RNA) where: Base-Base interactions energy: -23.543 where: short stacking energy: -20.247 Base-Backbone interact. energy: -0.103 local terms energy: -35.765160 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -4.525 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: 163 Temperature: 1.100000 Total energy: -55.059733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.059733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.059733 (E_RNA) where: Base-Base interactions energy: -21.391 where: short stacking energy: -17.245 Base-Backbone interact. energy: -0.082 local terms energy: -33.586821 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -57.480339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.480339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.480339 (E_RNA) where: Base-Base interactions energy: -21.199 where: short stacking energy: -21.199 Base-Backbone interact. energy: -0.004 local terms energy: -36.277848 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -5.880 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: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -48.175607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.175607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.175607 (E_RNA) where: Base-Base interactions energy: -19.689 where: short stacking energy: -18.543 Base-Backbone interact. energy: -0.083 local terms energy: -28.404168 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -7.664 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -4.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -50.189809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.189809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.189809 (E_RNA) where: Base-Base interactions energy: -20.234 where: short stacking energy: -20.041 Base-Backbone interact. energy: 0.097 local terms energy: -30.053089 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -39.069949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.069949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.069949 (E_RNA) where: Base-Base interactions energy: -10.879 where: short stacking energy: -10.611 Base-Backbone interact. energy: -1.239 local terms energy: -26.951254 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -2.749 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: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -41.776872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.776872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.776872 (E_RNA) where: Base-Base interactions energy: -14.836 where: short stacking energy: -14.836 Base-Backbone interact. energy: -0.095 local terms energy: -26.846107 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -4.387 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -70.743217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.743217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.743217 (E_RNA) where: Base-Base interactions energy: -32.186 where: short stacking energy: -30.462 Base-Backbone interact. energy: -0.000 local terms energy: -38.557294 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -5.253 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: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -69.206336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.206336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.206336 (E_RNA) where: Base-Base interactions energy: -35.527 where: short stacking energy: -25.875 Base-Backbone interact. energy: -0.000 local terms energy: -33.678726 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -6.200 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -67.686265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.686265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.686265 (E_RNA) where: Base-Base interactions energy: -34.811 where: short stacking energy: -23.476 Base-Backbone interact. energy: -0.623 local terms energy: -32.252427 where: bonds (distance) C4'-P energy: -6.507 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -59.416957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.416957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.416957 (E_RNA) where: Base-Base interactions energy: -28.622 where: short stacking energy: -16.718 Base-Backbone interact. energy: -0.060 local terms energy: -30.735130 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -6.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -62.540368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.540368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.540368 (E_RNA) where: Base-Base interactions energy: -32.139 where: short stacking energy: -16.492 Base-Backbone interact. energy: -0.014 local terms energy: -30.387459 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -3.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -45.908147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.908147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.908147 (E_RNA) where: Base-Base interactions energy: -18.579 where: short stacking energy: -8.428 Base-Backbone interact. energy: -0.017 local terms energy: -27.312236 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -3.400 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: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -53.191152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.191152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.191152 (E_RNA) where: Base-Base interactions energy: -22.942 where: short stacking energy: -16.921 Base-Backbone interact. energy: -0.000 local terms energy: -30.248326 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -45.034649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.034649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.034649 (E_RNA) where: Base-Base interactions energy: -22.044 where: short stacking energy: -22.044 Base-Backbone interact. energy: -0.010 local terms energy: -22.980246 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -45.989644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.989644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.989644 (E_RNA) where: Base-Base interactions energy: -18.838 where: short stacking energy: -18.838 Base-Backbone interact. energy: -0.023 local terms energy: -27.128499 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -46.478488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.478488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.478488 (E_RNA) where: Base-Base interactions energy: -15.671 where: short stacking energy: -13.425 Base-Backbone interact. energy: -0.043 local terms energy: -30.764525 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -67.467236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.467236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.467236 (E_RNA) where: Base-Base interactions energy: -28.593 where: short stacking energy: -28.593 Base-Backbone interact. energy: -0.000 local terms energy: -38.874465 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -5.658 tors. eta vs tors. theta energy: -7.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -60.492319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.492319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.492319 (E_RNA) where: Base-Base interactions energy: -25.205 where: short stacking energy: -23.777 Base-Backbone interact. energy: -0.000 local terms energy: -35.286525 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.784 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -64.544579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.544579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.544579 (E_RNA) where: Base-Base interactions energy: -32.020 where: short stacking energy: -22.459 Base-Backbone interact. energy: -0.000 local terms energy: -32.524489 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -5.818 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: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -62.192045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.192045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.192045 (E_RNA) where: Base-Base interactions energy: -28.304 where: short stacking energy: -12.805 Base-Backbone interact. energy: -0.414 local terms energy: -33.473514 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.012 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -48.426067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.426067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.426067 (E_RNA) where: Base-Base interactions energy: -15.233 where: short stacking energy: -15.233 Base-Backbone interact. energy: -0.041 local terms energy: -33.152278 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -4.305 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: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -49.787936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.787936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.787936 (E_RNA) where: Base-Base interactions energy: -24.889 where: short stacking energy: -24.889 Base-Backbone interact. energy: -0.000 local terms energy: -24.898482 where: bonds (distance) C4'-P energy: -4.814 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: 1.721 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: 7, replica: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -52.949928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.949928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.949928 (E_RNA) where: Base-Base interactions energy: -25.419 where: short stacking energy: -25.236 Base-Backbone interact. energy: -0.000 local terms energy: -27.531111 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -7.454 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: 165 Temperature: 1.250000 Total energy: -47.481616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.481616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.481616 (E_RNA) where: Base-Base interactions energy: -14.437 where: short stacking energy: -14.437 Base-Backbone interact. energy: -0.012 local terms energy: -33.032725 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -5.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -47.718317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.718317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.718317 (E_RNA) where: Base-Base interactions energy: -18.756 where: short stacking energy: -17.938 Base-Backbone interact. energy: -0.169 local terms energy: -28.793623 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.447 flat angles P-C4'-P energy: -1.762 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -39.359128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.359128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.359128 (E_RNA) where: Base-Base interactions energy: -13.421 where: short stacking energy: -12.809 Base-Backbone interact. energy: -0.020 local terms energy: -25.917639 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -57.854801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.854801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.854801 (E_RNA) where: Base-Base interactions energy: -22.018 where: short stacking energy: -22.018 Base-Backbone interact. energy: -0.017 local terms energy: -35.820333 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -68.997562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.997562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.997562 (E_RNA) where: Base-Base interactions energy: -31.307 where: short stacking energy: -31.307 Base-Backbone interact. energy: -0.000 local terms energy: -37.690302 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -7.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -74.868300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.868300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.868300 (E_RNA) where: Base-Base interactions energy: -37.690 where: short stacking energy: -26.652 Base-Backbone interact. energy: -0.106 local terms energy: -37.072035 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -4.955 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: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -57.948041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.948041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.948041 (E_RNA) where: Base-Base interactions energy: -25.162 where: short stacking energy: -25.162 Base-Backbone interact. energy: -0.000 local terms energy: -32.785950 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -1.608 tors. eta vs tors. theta energy: -6.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -63.968258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.968258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.968258 (E_RNA) where: Base-Base interactions energy: -31.361 where: short stacking energy: -27.104 Base-Backbone interact. energy: -0.001 local terms energy: -32.606115 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -46.231642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.231642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.231642 (E_RNA) where: Base-Base interactions energy: -20.612 where: short stacking energy: -19.401 Base-Backbone interact. energy: -0.006 local terms energy: -25.613517 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -4.540 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -51.933434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.933434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.933434 (E_RNA) where: Base-Base interactions energy: -29.185 where: short stacking energy: -22.471 Base-Backbone interact. energy: 0.525 local terms energy: -23.273696 where: bonds (distance) C4'-P energy: -4.151 bonds (distance) P-C4' energy: -7.396 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -47.296543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.296543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.296543 (E_RNA) where: Base-Base interactions energy: -18.613 where: short stacking energy: -15.502 Base-Backbone interact. energy: -0.006 local terms energy: -28.677159 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -42.825694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.825694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.825694 (E_RNA) where: Base-Base interactions energy: -17.060 where: short stacking energy: -17.060 Base-Backbone interact. energy: -0.117 local terms energy: -25.648515 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -3.212 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: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -42.473151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.473151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.473151 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.038 local terms energy: -30.681022 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -6.472 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: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -64.104257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.104257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.104257 (E_RNA) where: Base-Base interactions energy: -26.652 where: short stacking energy: -26.652 Base-Backbone interact. energy: -0.000 local terms energy: -37.452135 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -6.024 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: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -62.543146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.543146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.543146 (E_RNA) where: Base-Base interactions energy: -25.147 where: short stacking energy: -24.925 Base-Backbone interact. energy: -0.004 local terms energy: -37.392940 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -7.652 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: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -60.894770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.894770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.894770 (E_RNA) where: Base-Base interactions energy: -22.689 where: short stacking energy: -22.689 Base-Backbone interact. energy: -0.083 local terms energy: -38.122379 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.579 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -8.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -61.612696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.612696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.612696 (E_RNA) where: Base-Base interactions energy: -27.641 where: short stacking energy: -27.641 Base-Backbone interact. energy: -0.007 local terms energy: -33.964344 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -51.604847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.604847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.604847 (E_RNA) where: Base-Base interactions energy: -19.247 where: short stacking energy: -19.247 Base-Backbone interact. energy: -0.004 local terms energy: -32.353800 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -52.251260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.251260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.251260 (E_RNA) where: Base-Base interactions energy: -19.743 where: short stacking energy: -19.743 Base-Backbone interact. energy: -0.083 local terms energy: -32.426066 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -49.424268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.424268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.424268 (E_RNA) where: Base-Base interactions energy: -15.064 where: short stacking energy: -15.064 Base-Backbone interact. energy: -0.000 local terms energy: -34.359870 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -5.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -46.706482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.706482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.706482 (E_RNA) where: Base-Base interactions energy: -17.546 where: short stacking energy: -17.546 Base-Backbone interact. energy: -0.040 local terms energy: -29.120398 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -3.404 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: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -52.896086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.896086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.896086 (E_RNA) where: Base-Base interactions energy: -25.552 where: short stacking energy: -13.696 Base-Backbone interact. energy: -0.010 local terms energy: -27.334343 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -6.151 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -4.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -40.513272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.513272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.513272 (E_RNA) where: Base-Base interactions energy: -13.565 where: short stacking energy: -13.565 Base-Backbone interact. energy: -0.164 local terms energy: -26.783780 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -2.431 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: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -70.961801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.961801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.961801 (E_RNA) where: Base-Base interactions energy: -32.968 where: short stacking energy: -32.968 Base-Backbone interact. energy: -0.000 local terms energy: -37.993903 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -9.346 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -8.532 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: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -59.664251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.664251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.664251 (E_RNA) where: Base-Base interactions energy: -23.213 where: short stacking energy: -23.213 Base-Backbone interact. energy: -0.000 local terms energy: -36.451215 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -7.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -54.720123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.720123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.720123 (E_RNA) where: Base-Base interactions energy: -21.868 where: short stacking energy: -20.188 Base-Backbone interact. energy: -0.052 local terms energy: -32.800092 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -5.227 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: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -49.990583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.990583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.990583 (E_RNA) where: Base-Base interactions energy: -15.644 where: short stacking energy: -15.644 Base-Backbone interact. energy: -0.012 local terms energy: -34.335179 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -5.750 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: 5, replica: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -54.138275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.138275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.138275 (E_RNA) where: Base-Base interactions energy: -21.914 where: short stacking energy: -21.914 Base-Backbone interact. energy: -0.017 local terms energy: -32.206955 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -9.424 flat angles P-C4'-P energy: -4.445 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: 6, replica: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -60.699384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.699384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.699384 (E_RNA) where: Base-Base interactions energy: -25.773 where: short stacking energy: -11.719 Base-Backbone interact. energy: -1.153 local terms energy: -33.773199 where: bonds (distance) C4'-P energy: -4.836 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -9.375 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -43.216101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.216101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.216101 (E_RNA) where: Base-Base interactions energy: -16.826 where: short stacking energy: -12.775 Base-Backbone interact. energy: -0.047 local terms energy: -26.343145 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -5.472 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: 8, replica: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -44.949604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.949604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.949604 (E_RNA) where: Base-Base interactions energy: -13.725 where: short stacking energy: -13.667 Base-Backbone interact. energy: -0.006 local terms energy: -31.218523 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -7.187 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: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -41.608635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.608635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.608635 (E_RNA) where: Base-Base interactions energy: -11.793 where: short stacking energy: -11.793 Base-Backbone interact. energy: -0.042 local terms energy: -29.773262 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -3.267 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: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -45.489892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.489892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.489892 (E_RNA) where: Base-Base interactions energy: -13.898 where: short stacking energy: -13.898 Base-Backbone interact. energy: -0.004 local terms energy: -31.587586 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -65.826610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.826610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.826610 (E_RNA) where: Base-Base interactions energy: -31.112 where: short stacking energy: -31.112 Base-Backbone interact. energy: -0.000 local terms energy: -34.714271 where: bonds (distance) C4'-P energy: -4.685 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -8.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -56.784813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.784813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.784813 (E_RNA) where: Base-Base interactions energy: -23.115 where: short stacking energy: -23.115 Base-Backbone interact. energy: -0.047 local terms energy: -33.622560 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -8.807 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -5.047 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: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -69.852304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.852304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.852304 (E_RNA) where: Base-Base interactions energy: -30.228 where: short stacking energy: -29.893 Base-Backbone interact. energy: -0.000 local terms energy: -39.624429 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -5.273 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: 7 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -55.347167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.347167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.347167 (E_RNA) where: Base-Base interactions energy: -24.721 where: short stacking energy: -24.721 Base-Backbone interact. energy: -0.002 local terms energy: -30.624565 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -7.641 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -0.605 tors. eta vs tors. theta energy: -9.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -48.627436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.627436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.627436 (E_RNA) where: Base-Base interactions energy: -21.335 where: short stacking energy: -17.857 Base-Backbone interact. energy: -0.074 local terms energy: -27.219097 where: bonds (distance) C4'-P energy: -2.840 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -2.890 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: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -45.761911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.761911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.761911 (E_RNA) where: Base-Base interactions energy: -14.594 where: short stacking energy: -10.924 Base-Backbone interact. energy: -0.065 local terms energy: -31.102618 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.170 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: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -48.864819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.864819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.864819 (E_RNA) where: Base-Base interactions energy: -21.855 where: short stacking energy: -18.860 Base-Backbone interact. energy: -0.003 local terms energy: -27.006472 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -49.613416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.613416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.613416 (E_RNA) where: Base-Base interactions energy: -19.822 where: short stacking energy: -19.822 Base-Backbone interact. energy: -0.002 local terms energy: -29.789498 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -46.029267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.029267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.029267 (E_RNA) where: Base-Base interactions energy: -20.240 where: short stacking energy: -20.240 Base-Backbone interact. energy: -0.075 local terms energy: -25.713792 where: bonds (distance) C4'-P energy: -6.477 bonds (distance) P-C4' energy: -6.049 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -41.678469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.678469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.678469 (E_RNA) where: Base-Base interactions energy: -12.804 where: short stacking energy: -12.804 Base-Backbone interact. energy: -0.006 local terms energy: -28.868201 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -58.437142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.437142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.437142 (E_RNA) where: Base-Base interactions energy: -20.649 where: short stacking energy: -20.649 Base-Backbone interact. energy: -0.095 local terms energy: -37.692996 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -5.837 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: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -61.680568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.680568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.680568 (E_RNA) where: Base-Base interactions energy: -24.546 where: short stacking energy: -24.546 Base-Backbone interact. energy: -0.001 local terms energy: -37.133357 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -6.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -57.840554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.840554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.840554 (E_RNA) where: Base-Base interactions energy: -29.249 where: short stacking energy: -20.727 Base-Backbone interact. energy: -0.004 local terms energy: -28.587124 where: bonds (distance) C4'-P energy: -6.772 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -51.304844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.304844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.304844 (E_RNA) where: Base-Base interactions energy: -21.844 where: short stacking energy: -16.403 Base-Backbone interact. energy: -0.045 local terms energy: -29.416536 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.467 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -5.603 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: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -55.255445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.255445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.255445 (E_RNA) where: Base-Base interactions energy: -20.635 where: short stacking energy: -20.635 Base-Backbone interact. energy: -0.190 local terms energy: -34.430448 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -5.316 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -8.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -47.495931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.495931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.495931 (E_RNA) where: Base-Base interactions energy: -19.088 where: short stacking energy: -16.675 Base-Backbone interact. energy: -0.012 local terms energy: -28.396278 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -6.234 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: 7, replica: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -47.018294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.018294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.018294 (E_RNA) where: Base-Base interactions energy: -16.305 where: short stacking energy: -16.305 Base-Backbone interact. energy: -0.000 local terms energy: -30.713472 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -51.572617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.572617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.572617 (E_RNA) where: Base-Base interactions energy: -23.155 where: short stacking energy: -23.155 Base-Backbone interact. energy: -0.000 local terms energy: -28.417486 where: bonds (distance) C4'-P energy: -2.586 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -8.686 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -6.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -40.451116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.451116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.451116 (E_RNA) where: Base-Base interactions energy: -16.993 where: short stacking energy: -16.993 Base-Backbone interact. energy: -0.003 local terms energy: -23.455352 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -56.568952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.568952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.568952 (E_RNA) where: Base-Base interactions energy: -27.463 where: short stacking energy: -23.339 Base-Backbone interact. energy: -0.061 local terms energy: -29.045271 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -64.525314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.525314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.525314 (E_RNA) where: Base-Base interactions energy: -28.173 where: short stacking energy: -17.568 Base-Backbone interact. energy: -0.011 local terms energy: -36.341981 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -8.485 flat angles P-C4'-P energy: -7.423 tors. eta vs tors. theta energy: -4.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -57.846998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.846998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.846998 (E_RNA) where: Base-Base interactions energy: -22.322 where: short stacking energy: -17.975 Base-Backbone interact. energy: -0.687 local terms energy: -34.837743 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -59.051637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.051637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.051637 (E_RNA) where: Base-Base interactions energy: -22.839 where: short stacking energy: -22.839 Base-Backbone interact. energy: -0.000 local terms energy: -36.212401 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.913 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -8.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -55.079641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.079641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.079641 (E_RNA) where: Base-Base interactions energy: -20.808 where: short stacking energy: -20.450 Base-Backbone interact. energy: -0.060 local terms energy: -34.211657 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.712 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -7.416 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: 5, replica: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -49.876668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.876668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.876668 (E_RNA) where: Base-Base interactions energy: -19.962 where: short stacking energy: -16.219 Base-Backbone interact. energy: -0.101 local terms energy: -29.813640 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -2.941 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: 8 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -43.476437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.476437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.476437 (E_RNA) where: Base-Base interactions energy: -12.510 where: short stacking energy: -12.510 Base-Backbone interact. energy: -0.049 local terms energy: -30.917506 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -47.267640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.267640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.267640 (E_RNA) where: Base-Base interactions energy: -22.311 where: short stacking energy: -20.763 Base-Backbone interact. energy: 0.139 local terms energy: -25.095862 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -5.220 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -1.188 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: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -45.602643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.602643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.602643 (E_RNA) where: Base-Base interactions energy: -12.983 where: short stacking energy: -12.983 Base-Backbone interact. energy: -0.017 local terms energy: -32.603288 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -9.372 flat angles P-C4'-P energy: -5.064 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: 9, replica: 4 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -42.931483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.931483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.931483 (E_RNA) where: Base-Base interactions energy: -16.889 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.005 local terms energy: -26.038075 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: 1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -43.350100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.350100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.350100 (E_RNA) where: Base-Base interactions energy: -16.995 where: short stacking energy: -16.995 Base-Backbone interact. energy: -0.122 local terms energy: -26.232793 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -2.865 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -70.724311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.724311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.724311 (E_RNA) where: Base-Base interactions energy: -37.415 where: short stacking energy: -15.291 Base-Backbone interact. energy: -0.093 local terms energy: -33.216852 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -63.707747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.707747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.707747 (E_RNA) where: Base-Base interactions energy: -29.194 where: short stacking energy: -29.194 Base-Backbone interact. energy: -0.007 local terms energy: -34.506919 where: bonds (distance) C4'-P energy: -6.299 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -8.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -61.721685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.721685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.721685 (E_RNA) where: Base-Base interactions energy: -28.232 where: short stacking energy: -28.232 Base-Backbone interact. energy: 0.681 local terms energy: -34.170452 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.510 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: 4, replica: 9 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -52.718250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.718250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.718250 (E_RNA) where: Base-Base interactions energy: -21.765 where: short stacking energy: -21.765 Base-Backbone interact. energy: -0.002 local terms energy: -30.951621 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.626 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -52.077884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.077884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.077884 (E_RNA) where: Base-Base interactions energy: -25.675 where: short stacking energy: -15.558 Base-Backbone interact. energy: -0.143 local terms energy: -26.260170 where: bonds (distance) C4'-P energy: -6.259 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: 1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -47.197184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.197184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.197184 (E_RNA) where: Base-Base interactions energy: -21.563 where: short stacking energy: -13.431 Base-Backbone interact. energy: -0.113 local terms energy: -25.521353 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -6.603 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: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -48.348334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.348334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.348334 (E_RNA) where: Base-Base interactions energy: -14.947 where: short stacking energy: -11.468 Base-Backbone interact. energy: -0.194 local terms energy: -33.206867 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -6.409 tors. eta vs tors. theta energy: -3.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -39.169372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.169372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.169372 (E_RNA) where: Base-Base interactions energy: -14.598 where: short stacking energy: -13.679 Base-Backbone interact. energy: -0.048 local terms energy: -24.523395 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -48.389384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.389384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.389384 (E_RNA) where: Base-Base interactions energy: -16.222 where: short stacking energy: -16.222 Base-Backbone interact. energy: -0.052 local terms energy: -32.115724 where: bonds (distance) C4'-P energy: -4.757 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -6.228 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: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -42.483973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.483973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.483973 (E_RNA) where: Base-Base interactions energy: -12.202 where: short stacking energy: -12.202 Base-Backbone interact. energy: -0.071 local terms energy: -30.211693 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -73.932420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.932420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.932420 (E_RNA) where: Base-Base interactions energy: -43.311 where: short stacking energy: -21.867 Base-Backbone interact. energy: -0.161 local terms energy: -30.459801 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -3.222 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: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -59.149443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.149443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.149443 (E_RNA) where: Base-Base interactions energy: -24.766 where: short stacking energy: -24.766 Base-Backbone interact. energy: -0.003 local terms energy: -34.380154 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -63.249669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.249669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.249669 (E_RNA) where: Base-Base interactions energy: -28.551 where: short stacking energy: -28.551 Base-Backbone interact. energy: -0.083 local terms energy: -34.615019 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -3.834 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: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -52.869525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.869525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.869525 (E_RNA) where: Base-Base interactions energy: -20.294 where: short stacking energy: -20.294 Base-Backbone interact. energy: -0.003 local terms energy: -32.572379 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -6.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -56.737472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.737472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.737472 (E_RNA) where: Base-Base interactions energy: -25.906 where: short stacking energy: -14.399 Base-Backbone interact. energy: -0.048 local terms energy: -30.783285 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -8.131 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -3.192 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: 6, replica: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -47.496320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.496320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.496320 (E_RNA) where: Base-Base interactions energy: -18.688 where: short stacking energy: -18.688 Base-Backbone interact. energy: -0.000 local terms energy: -28.807716 where: bonds (distance) C4'-P energy: -3.440 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -5.386 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: 7 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -46.800854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.800854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.800854 (E_RNA) where: Base-Base interactions energy: -17.504 where: short stacking energy: -17.504 Base-Backbone interact. energy: -0.011 local terms energy: -29.285662 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -5.117 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: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -45.431153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.431153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.431153 (E_RNA) where: Base-Base interactions energy: -24.284 where: short stacking energy: -10.833 Base-Backbone interact. energy: -0.101 local terms energy: -21.045797 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -2.011 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: 9, replica: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -39.459076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.459076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.459076 (E_RNA) where: Base-Base interactions energy: -16.148 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.066 local terms energy: -23.245053 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -3.056 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: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -45.852392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.852392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.852392 (E_RNA) where: Base-Base interactions energy: -15.859 where: short stacking energy: -15.859 Base-Backbone interact. energy: -0.017 local terms energy: -29.976971 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -5.975 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: 1, replica: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -63.520621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.520621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.520621 (E_RNA) where: Base-Base interactions energy: -28.124 where: short stacking energy: -28.124 Base-Backbone interact. energy: -0.000 local terms energy: -35.396469 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -4.985 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: 2, replica: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -60.512994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.512994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.512994 (E_RNA) where: Base-Base interactions energy: -25.231 where: short stacking energy: -24.318 Base-Backbone interact. energy: -0.000 local terms energy: -35.281544 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -5.872 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: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -59.461697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.461697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.461697 (E_RNA) where: Base-Base interactions energy: -23.467 where: short stacking energy: -23.467 Base-Backbone interact. energy: -0.005 local terms energy: -35.989633 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -7.047 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: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -51.880602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.880602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.880602 (E_RNA) where: Base-Base interactions energy: -20.882 where: short stacking energy: -17.848 Base-Backbone interact. energy: -0.007 local terms energy: -30.991436 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -49.659627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.659627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.659627 (E_RNA) where: Base-Base interactions energy: -23.186 where: short stacking energy: -15.214 Base-Backbone interact. energy: -0.004 local terms energy: -26.469594 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -1.817 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: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -57.934597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.934597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.934597 (E_RNA) where: Base-Base interactions energy: -30.898 where: short stacking energy: -30.898 Base-Backbone interact. energy: -0.000 local terms energy: -27.036663 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.566 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -3.300 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: 174 Temperature: 1.200000 Total energy: -51.216141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.216141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.216141 (E_RNA) where: Base-Base interactions energy: -26.862 where: short stacking energy: -18.215 Base-Backbone interact. energy: -0.105 local terms energy: -24.249026 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -47.300503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.300503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.300503 (E_RNA) where: Base-Base interactions energy: -18.947 where: short stacking energy: -15.416 Base-Backbone interact. energy: -0.001 local terms energy: -28.352095 where: bonds (distance) C4'-P energy: -2.663 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -6.053 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: 9, replica: 10 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -42.235705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.235705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.235705 (E_RNA) where: Base-Base interactions energy: -16.244 where: short stacking energy: -16.244 Base-Backbone interact. energy: -0.000 local terms energy: -25.991404 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -0.357 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -7.206 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: 10, replica: 6 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -47.781007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.781007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.781007 (E_RNA) where: Base-Base interactions energy: -21.730 where: short stacking energy: -21.730 Base-Backbone interact. energy: -0.010 local terms energy: -26.041773 where: bonds (distance) C4'-P energy: -4.917 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -61.394524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.394524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.394524 (E_RNA) where: Base-Base interactions energy: -23.562 where: short stacking energy: -23.562 Base-Backbone interact. energy: -0.002 local terms energy: -37.830028 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -6.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -69.804897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.804897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.804897 (E_RNA) where: Base-Base interactions energy: -36.785 where: short stacking energy: -24.132 Base-Backbone interact. energy: -0.464 local terms energy: -32.555899 where: bonds (distance) C4'-P energy: -7.095 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -8.693 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -53.992518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.992518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.992518 (E_RNA) where: Base-Base interactions energy: -24.047 where: short stacking energy: -18.902 Base-Backbone interact. energy: -0.015 local terms energy: -29.930726 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -1.733 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -57.566733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.566733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.566733 (E_RNA) where: Base-Base interactions energy: -24.024 where: short stacking energy: -24.024 Base-Backbone interact. energy: -0.005 local terms energy: -33.537371 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -4.835 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: 5, replica: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -47.843194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.843194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.843194 (E_RNA) where: Base-Base interactions energy: -18.511 where: short stacking energy: -18.511 Base-Backbone interact. energy: -0.000 local terms energy: -29.332226 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -6.158 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: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -49.436146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.436146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.436146 (E_RNA) where: Base-Base interactions energy: -17.646 where: short stacking energy: -17.646 Base-Backbone interact. energy: -0.000 local terms energy: -31.789832 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -5.745 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: 175 Temperature: 1.200000 Total energy: -51.891276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.891276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.891276 (E_RNA) where: Base-Base interactions energy: -18.736 where: short stacking energy: -18.736 Base-Backbone interact. energy: -0.002 local terms energy: -33.153823 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -4.677 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: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -43.999617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.999617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.999617 (E_RNA) where: Base-Base interactions energy: -14.156 where: short stacking energy: -14.156 Base-Backbone interact. energy: -0.096 local terms energy: -29.747478 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -1.519 tors. eta vs tors. theta energy: -4.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -40.756386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.756386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.756386 (E_RNA) where: Base-Base interactions energy: -18.853 where: short stacking energy: -18.853 Base-Backbone interact. energy: 0.983 local terms energy: -22.886525 where: bonds (distance) C4'-P energy: -3.349 bonds (distance) P-C4' energy: -6.257 flat angles C4'-P-C4' energy: -8.276 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -48.072733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.072733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.072733 (E_RNA) where: Base-Base interactions energy: -18.056 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.000 local terms energy: -30.016273 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -5.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -78.310818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.310818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.310818 (E_RNA) where: Base-Base interactions energy: -42.591 where: short stacking energy: -18.601 Base-Backbone interact. energy: -0.323 local terms energy: -35.396560 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -6.536 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: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -63.051002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.051002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.051002 (E_RNA) where: Base-Base interactions energy: -26.321 where: short stacking energy: -25.852 Base-Backbone interact. energy: -0.009 local terms energy: -36.721740 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -6.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -56.891716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.891716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.891716 (E_RNA) where: Base-Base interactions energy: -22.251 where: short stacking energy: -22.251 Base-Backbone interact. energy: -0.067 local terms energy: -34.573853 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -4.470 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: 4, replica: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -53.316993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.316993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.316993 (E_RNA) where: Base-Base interactions energy: -17.247 where: short stacking energy: -17.247 Base-Backbone interact. energy: -0.001 local terms energy: -36.068752 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -59.700396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.700396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.700396 (E_RNA) where: Base-Base interactions energy: -23.021 where: short stacking energy: -23.021 Base-Backbone interact. energy: -0.000 local terms energy: -36.678888 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -6.730 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: 6, replica: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -46.500648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.500648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.500648 (E_RNA) where: Base-Base interactions energy: -14.162 where: short stacking energy: -14.162 Base-Backbone interact. energy: -0.013 local terms energy: -32.325450 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -65.886304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.886304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.886304 (E_RNA) where: Base-Base interactions energy: -33.214 where: short stacking energy: -24.128 Base-Backbone interact. energy: -0.030 local terms energy: -32.642019 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -47.113775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.113775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.113775 (E_RNA) where: Base-Base interactions energy: -15.186 where: short stacking energy: -15.186 Base-Backbone interact. energy: -0.037 local terms energy: -31.890605 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -51.366664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.366664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.366664 (E_RNA) where: Base-Base interactions energy: -21.093 where: short stacking energy: -20.945 Base-Backbone interact. energy: -0.043 local terms energy: -30.230497 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -9.330 flat angles P-C4'-P energy: -3.515 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: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -45.400668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.400668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.400668 (E_RNA) where: Base-Base interactions energy: -12.030 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.008 local terms energy: -33.362693 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -78.676517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.676517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.676517 (E_RNA) where: Base-Base interactions energy: -40.614 where: short stacking energy: -28.528 Base-Backbone interact. energy: -0.059 local terms energy: -38.003339 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.533 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -8.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -70.524227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.524227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.524227 (E_RNA) where: Base-Base interactions energy: -34.009 where: short stacking energy: -20.522 Base-Backbone interact. energy: -0.000 local terms energy: -36.515233 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -6.427 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: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -64.880178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.880178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.880178 (E_RNA) where: Base-Base interactions energy: -26.384 where: short stacking energy: -26.384 Base-Backbone interact. energy: -0.001 local terms energy: -38.495707 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -61.383943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.383943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.383943 (E_RNA) where: Base-Base interactions energy: -26.457 where: short stacking energy: -26.083 Base-Backbone interact. energy: -0.072 local terms energy: -34.854808 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -6.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -53.274446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.274446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.274446 (E_RNA) where: Base-Base interactions energy: -22.045 where: short stacking energy: -22.045 Base-Backbone interact. energy: -0.000 local terms energy: -31.229107 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -5.557 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: 10 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -61.380141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.380141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.380141 (E_RNA) where: Base-Base interactions energy: -29.142 where: short stacking energy: -18.807 Base-Backbone interact. energy: -0.668 local terms energy: -31.570358 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -3.945 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: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -51.273162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.273162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.273162 (E_RNA) where: Base-Base interactions energy: -20.310 where: short stacking energy: -19.091 Base-Backbone interact. energy: -0.086 local terms energy: -30.877450 where: bonds (distance) C4'-P energy: -5.531 bonds (distance) P-C4' energy: -6.055 flat angles C4'-P-C4' energy: -8.868 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -42.293670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.293670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.293670 (E_RNA) where: Base-Base interactions energy: -16.579 where: short stacking energy: -16.208 Base-Backbone interact. energy: 0.024 local terms energy: -25.738297 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -1.462 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -40.231210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.231210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.231210 (E_RNA) where: Base-Base interactions energy: -13.806 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.032 local terms energy: -26.393720 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -1.105 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: 10, replica: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -49.333800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.333800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.333800 (E_RNA) where: Base-Base interactions energy: -15.463 where: short stacking energy: -15.463 Base-Backbone interact. energy: -0.000 local terms energy: -33.870903 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -6.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -75.888664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.888664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.888664 (E_RNA) where: Base-Base interactions energy: -41.565 where: short stacking energy: -21.175 Base-Backbone interact. energy: -0.006 local terms energy: -34.317042 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -6.858 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: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -70.906174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.906174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.906174 (E_RNA) where: Base-Base interactions energy: -32.905 where: short stacking energy: -27.055 Base-Backbone interact. energy: 0.596 local terms energy: -38.597789 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -4.256 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: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -62.397442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.397442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.397442 (E_RNA) where: Base-Base interactions energy: -24.608 where: short stacking energy: -24.608 Base-Backbone interact. energy: -0.000 local terms energy: -37.789337 where: bonds (distance) C4'-P energy: -5.726 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -9.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -55.127308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.127308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.127308 (E_RNA) where: Base-Base interactions energy: -19.555 where: short stacking energy: -19.555 Base-Backbone interact. energy: -0.001 local terms energy: -35.570614 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -5.808 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: 5, replica: 10 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -48.829290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.829290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.829290 (E_RNA) where: Base-Base interactions energy: -20.135 where: short stacking energy: -20.135 Base-Backbone interact. energy: -0.062 local terms energy: -28.632654 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.397 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: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -48.687725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.687725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.687725 (E_RNA) where: Base-Base interactions energy: -20.971 where: short stacking energy: -20.971 Base-Backbone interact. energy: 0.261 local terms energy: -27.977728 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -41.905146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.905146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.905146 (E_RNA) where: Base-Base interactions energy: -15.955 where: short stacking energy: -15.955 Base-Backbone interact. energy: -0.041 local terms energy: -25.908456 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -3.778 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: 8, replica: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -57.447348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.447348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.447348 (E_RNA) where: Base-Base interactions energy: -22.438 where: short stacking energy: -22.438 Base-Backbone interact. energy: -0.071 local terms energy: -34.938161 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -45.272872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.272872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.272872 (E_RNA) where: Base-Base interactions energy: -15.129 where: short stacking energy: -15.129 Base-Backbone interact. energy: -0.146 local terms energy: -29.998005 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -5.637 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: 10, replica: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -45.275008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.275008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.275008 (E_RNA) where: Base-Base interactions energy: -20.060 where: short stacking energy: -17.948 Base-Backbone interact. energy: -0.000 local terms energy: -25.214751 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.594 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -1.825 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -82.515976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.515976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.515976 (E_RNA) where: Base-Base interactions energy: -43.873 where: short stacking energy: -25.711 Base-Backbone interact. energy: -0.005 local terms energy: -38.637981 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: -7.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -60.368644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.368644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.368644 (E_RNA) where: Base-Base interactions energy: -25.745 where: short stacking energy: -24.485 Base-Backbone interact. energy: -0.005 local terms energy: -34.618000 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -6.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -59.954363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.954363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.954363 (E_RNA) where: Base-Base interactions energy: -28.202 where: short stacking energy: -28.202 Base-Backbone interact. energy: -0.084 local terms energy: -31.668940 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -6.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -53.478760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.478760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.478760 (E_RNA) where: Base-Base interactions energy: -16.898 where: short stacking energy: -16.898 Base-Backbone interact. energy: -0.099 local terms energy: -36.481380 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.991 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -48.312268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.312268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.312268 (E_RNA) where: Base-Base interactions energy: -19.700 where: short stacking energy: -19.700 Base-Backbone interact. energy: -0.000 local terms energy: -28.611344 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -8.888 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -0.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -49.826241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.826241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.826241 (E_RNA) where: Base-Base interactions energy: -18.863 where: short stacking energy: -17.902 Base-Backbone interact. energy: -0.197 local terms energy: -30.766139 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -41.539796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.539796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.539796 (E_RNA) where: Base-Base interactions energy: -18.600 where: short stacking energy: -7.604 Base-Backbone interact. energy: -0.018 local terms energy: -22.922271 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -4.362 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -50.817052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.817052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.817052 (E_RNA) where: Base-Base interactions energy: -22.910 where: short stacking energy: -11.406 Base-Backbone interact. energy: -0.054 local terms energy: -27.853022 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -41.192151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.192151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.192151 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.089 local terms energy: -29.283538 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -3.981 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: 10, replica: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -47.880152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.880152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.880152 (E_RNA) where: Base-Base interactions energy: -20.641 where: short stacking energy: -20.641 Base-Backbone interact. energy: -0.062 local terms energy: -27.177363 where: bonds (distance) C4'-P energy: -6.110 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -80.288244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.288244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.288244 (E_RNA) where: Base-Base interactions energy: -44.588 where: short stacking energy: -31.112 Base-Backbone interact. energy: -0.001 local terms energy: -35.700127 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -8.012 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -7.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -67.083921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.083921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.083921 (E_RNA) where: Base-Base interactions energy: -34.019 where: short stacking energy: -21.385 Base-Backbone interact. energy: -0.026 local terms energy: -33.039474 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -66.843856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.843856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.843856 (E_RNA) where: Base-Base interactions energy: -34.639 where: short stacking energy: -21.107 Base-Backbone interact. energy: -0.001 local terms energy: -32.203868 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -58.406789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.406789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.406789 (E_RNA) where: Base-Base interactions energy: -25.403 where: short stacking energy: -22.203 Base-Backbone interact. energy: -0.029 local terms energy: -32.975170 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -6.916 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -49.718094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.718094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.718094 (E_RNA) where: Base-Base interactions energy: -17.669 where: short stacking energy: -17.669 Base-Backbone interact. energy: -0.019 local terms energy: -32.030098 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -2.979 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: 6, replica: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -51.184792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.184792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.184792 (E_RNA) where: Base-Base interactions energy: -19.726 where: short stacking energy: -19.673 Base-Backbone interact. energy: -0.035 local terms energy: -31.424448 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -5.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -59.605249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.605249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.605249 (E_RNA) where: Base-Base interactions energy: -25.989 where: short stacking energy: -25.989 Base-Backbone interact. energy: -0.000 local terms energy: -33.615901 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -48.128498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.128498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.128498 (E_RNA) where: Base-Base interactions energy: -22.008 where: short stacking energy: -13.907 Base-Backbone interact. energy: -0.093 local terms energy: -26.026598 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -37.896645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.896645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.896645 (E_RNA) where: Base-Base interactions energy: -9.213 where: short stacking energy: -9.213 Base-Backbone interact. energy: -0.002 local terms energy: -28.681702 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -40.398941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.398941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.398941 (E_RNA) where: Base-Base interactions energy: -17.904 where: short stacking energy: -7.395 Base-Backbone interact. energy: 0.219 local terms energy: -22.714434 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: 0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -81.248076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.248076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.248076 (E_RNA) where: Base-Base interactions energy: -41.796 where: short stacking energy: -27.043 Base-Backbone interact. energy: -0.001 local terms energy: -39.451355 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.917 flat angles P-C4'-P energy: -5.827 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: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -81.678908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.678908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.678908 (E_RNA) where: Base-Base interactions energy: -43.653 where: short stacking energy: -29.913 Base-Backbone interact. energy: -0.000 local terms energy: -38.025997 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -6.368 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: 3, replica: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -58.097457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.097457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.097457 (E_RNA) where: Base-Base interactions energy: -27.096 where: short stacking energy: -21.801 Base-Backbone interact. energy: -0.072 local terms energy: -30.929824 where: bonds (distance) C4'-P energy: -6.415 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -48.043270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.043270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.043270 (E_RNA) where: Base-Base interactions energy: -23.612 where: short stacking energy: -17.060 Base-Backbone interact. energy: -0.130 local terms energy: -24.300916 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -2.028 tors. eta vs tors. theta energy: -2.677 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: 181 Temperature: 1.100000 Total energy: -59.108801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.108801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.108801 (E_RNA) where: Base-Base interactions energy: -20.023 where: short stacking energy: -20.023 Base-Backbone interact. energy: -0.013 local terms energy: -39.072104 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -6.322 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: 6, replica: 9 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -50.379728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.379728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.379728 (E_RNA) where: Base-Base interactions energy: -17.718 where: short stacking energy: -17.718 Base-Backbone interact. energy: -0.045 local terms energy: -32.615866 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -5.281 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: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -51.539632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.539632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.539632 (E_RNA) where: Base-Base interactions energy: -21.565 where: short stacking energy: -13.971 Base-Backbone interact. energy: -0.040 local terms energy: -29.934760 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -6.610 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -45.238149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.238149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.238149 (E_RNA) where: Base-Base interactions energy: -25.060 where: short stacking energy: -19.100 Base-Backbone interact. energy: -0.376 local terms energy: -19.802087 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -5.397 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: 0.556 tors. eta vs tors. theta energy: -2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -48.403865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.403865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.403865 (E_RNA) where: Base-Base interactions energy: -17.894 where: short stacking energy: -17.894 Base-Backbone interact. energy: -0.001 local terms energy: -30.508743 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.867 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -46.828110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.828110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.828110 (E_RNA) where: Base-Base interactions energy: -21.169 where: short stacking energy: -21.169 Base-Backbone interact. energy: -0.001 local terms energy: -25.658234 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -1.950 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: 1, replica: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -81.056065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.056065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.056065 (E_RNA) where: Base-Base interactions energy: -44.933 where: short stacking energy: -29.280 Base-Backbone interact. energy: 0.209 local terms energy: -36.331902 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -67.428385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.428385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.428385 (E_RNA) where: Base-Base interactions energy: -31.674 where: short stacking energy: -18.435 Base-Backbone interact. energy: -0.724 local terms energy: -35.030456 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -3.435 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: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -59.750764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.750764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.750764 (E_RNA) where: Base-Base interactions energy: -26.887 where: short stacking energy: -26.887 Base-Backbone interact. energy: -0.000 local terms energy: -32.863849 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -2.626 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: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -54.512470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.512470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.512470 (E_RNA) where: Base-Base interactions energy: -21.860 where: short stacking energy: -21.860 Base-Backbone interact. energy: -0.029 local terms energy: -32.622881 where: bonds (distance) C4'-P energy: -5.453 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -6.015 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: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -52.525650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.525650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.525650 (E_RNA) where: Base-Base interactions energy: -18.056 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.000 local terms energy: -34.469853 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -3.441 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: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -49.643735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.643735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.643735 (E_RNA) where: Base-Base interactions energy: -18.447 where: short stacking energy: -18.447 Base-Backbone interact. energy: -0.001 local terms energy: -31.195927 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: -3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -56.771982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.771982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.771982 (E_RNA) where: Base-Base interactions energy: -25.153 where: short stacking energy: -20.370 Base-Backbone interact. energy: -0.015 local terms energy: -31.603681 where: bonds (distance) C4'-P energy: -4.226 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -7.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -52.124890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.124890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.124890 (E_RNA) where: Base-Base interactions energy: -23.003 where: short stacking energy: -20.553 Base-Backbone interact. energy: -0.005 local terms energy: -29.117270 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -47.441357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.441357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.441357 (E_RNA) where: Base-Base interactions energy: -19.221 where: short stacking energy: -11.411 Base-Backbone interact. energy: 1.773 local terms energy: -29.992850 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -49.475201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.475201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.475201 (E_RNA) where: Base-Base interactions energy: -16.676 where: short stacking energy: -16.676 Base-Backbone interact. energy: -0.012 local terms energy: -32.787486 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -84.375413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.375413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.375413 (E_RNA) where: Base-Base interactions energy: -50.973 where: short stacking energy: -27.362 Base-Backbone interact. energy: -0.001 local terms energy: -33.400791 where: bonds (distance) C4'-P energy: -3.991 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -5.422 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: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -63.386063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.386063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.386063 (E_RNA) where: Base-Base interactions energy: -28.374 where: short stacking energy: -28.374 Base-Backbone interact. energy: -0.010 local terms energy: -35.001725 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -6.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -76.213489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.213489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.213489 (E_RNA) where: Base-Base interactions energy: -48.502 where: short stacking energy: -24.876 Base-Backbone interact. energy: -0.005 local terms energy: -27.706378 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -5.378 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: 4, replica: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -56.379025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.379025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.379025 (E_RNA) where: Base-Base interactions energy: -24.940 where: short stacking energy: -22.860 Base-Backbone interact. energy: -0.000 local terms energy: -31.439400 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -2.268 tors. eta vs tors. theta energy: -6.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -55.715205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.715205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.715205 (E_RNA) where: Base-Base interactions energy: -23.748 where: short stacking energy: -23.336 Base-Backbone interact. energy: -0.001 local terms energy: -31.966987 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -49.758645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.758645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.758645 (E_RNA) where: Base-Base interactions energy: -13.975 where: short stacking energy: -13.975 Base-Backbone interact. energy: -0.001 local terms energy: -35.783353 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -48.453084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.453084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.453084 (E_RNA) where: Base-Base interactions energy: -17.757 where: short stacking energy: -17.757 Base-Backbone interact. energy: -0.001 local terms energy: -30.695713 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -3.769 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: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -42.272140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.272140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.272140 (E_RNA) where: Base-Base interactions energy: -13.097 where: short stacking energy: -13.097 Base-Backbone interact. energy: -0.250 local terms energy: -28.925451 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -1.845 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -46.624053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.624053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.624053 (E_RNA) where: Base-Base interactions energy: -18.206 where: short stacking energy: -18.206 Base-Backbone interact. energy: -0.018 local terms energy: -28.400474 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.200 flat angles C4'-P-C4' energy: -2.829 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -35.640964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.640964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.640964 (E_RNA) where: Base-Base interactions energy: -14.752 where: short stacking energy: -9.617 Base-Backbone interact. energy: -0.040 local terms energy: -20.848963 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -4.270 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: 0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -83.421846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.421846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.421846 (E_RNA) where: Base-Base interactions energy: -50.985 where: short stacking energy: -30.785 Base-Backbone interact. energy: -0.002 local terms energy: -32.434958 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -6.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -61.327939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.327939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.327939 (E_RNA) where: Base-Base interactions energy: -25.543 where: short stacking energy: -25.543 Base-Backbone interact. energy: -0.000 local terms energy: -35.784465 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -7.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -79.262088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.262088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.262088 (E_RNA) where: Base-Base interactions energy: -46.215 where: short stacking energy: -24.760 Base-Backbone interact. energy: -0.009 local terms energy: -33.037533 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.852 tors. eta vs tors. theta energy: -5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -65.355067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.355067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.355067 (E_RNA) where: Base-Base interactions energy: -33.977 where: short stacking energy: -24.154 Base-Backbone interact. energy: -0.050 local terms energy: -31.327864 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -59.423370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.423370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.423370 (E_RNA) where: Base-Base interactions energy: -31.516 where: short stacking energy: -20.065 Base-Backbone interact. energy: -0.286 local terms energy: -27.621918 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -1.046 tors. eta vs tors. theta energy: -6.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -49.993822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.993822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.993822 (E_RNA) where: Base-Base interactions energy: -19.567 where: short stacking energy: -19.567 Base-Backbone interact. energy: -0.013 local terms energy: -30.413072 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -1.801 flat angles P-C4'-P energy: -6.603 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: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -44.709918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.709918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.709918 (E_RNA) where: Base-Base interactions energy: -19.066 where: short stacking energy: -10.885 Base-Backbone interact. energy: -0.029 local terms energy: -25.615385 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -6.166 flat angles C4'-P-C4' energy: -2.535 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -43.558198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.558198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.558198 (E_RNA) where: Base-Base interactions energy: -18.463 where: short stacking energy: -18.463 Base-Backbone interact. energy: -0.126 local terms energy: -24.968454 where: bonds (distance) C4'-P energy: -5.568 bonds (distance) P-C4' energy: -4.597 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -45.209291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.209291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.209291 (E_RNA) where: Base-Base interactions energy: -18.637 where: short stacking energy: -14.564 Base-Backbone interact. energy: -0.000 local terms energy: -26.571823 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -46.387815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.387815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.387815 (E_RNA) where: Base-Base interactions energy: -20.314 where: short stacking energy: -20.314 Base-Backbone interact. energy: -0.093 local terms energy: -25.980478 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -78.214949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.214949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.214949 (E_RNA) where: Base-Base interactions energy: -43.106 where: short stacking energy: -26.449 Base-Backbone interact. energy: -0.000 local terms energy: -35.108503 where: bonds (distance) C4'-P energy: -5.030 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -70.481175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.481175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.481175 (E_RNA) where: Base-Base interactions energy: -31.968 where: short stacking energy: -27.430 Base-Backbone interact. energy: -0.000 local terms energy: -38.512990 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -7.257 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: 3, replica: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -59.777545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.777545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.777545 (E_RNA) where: Base-Base interactions energy: -23.380 where: short stacking energy: -23.380 Base-Backbone interact. energy: -0.000 local terms energy: -36.397924 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -3.794 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: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -65.814681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.814681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.814681 (E_RNA) where: Base-Base interactions energy: -35.097 where: short stacking energy: -17.317 Base-Backbone interact. energy: 0.200 local terms energy: -30.918261 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -44.104125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.104125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.104125 (E_RNA) where: Base-Base interactions energy: -14.741 where: short stacking energy: -14.741 Base-Backbone interact. energy: -0.065 local terms energy: -29.297743 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -50.215539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.215539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.215539 (E_RNA) where: Base-Base interactions energy: -19.259 where: short stacking energy: -6.192 Base-Backbone interact. energy: -0.009 local terms energy: -30.947603 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -6.346 tors. eta vs tors. theta energy: -3.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -49.448256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.448256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.448256 (E_RNA) where: Base-Base interactions energy: -19.938 where: short stacking energy: -19.938 Base-Backbone interact. energy: 0.694 local terms energy: -30.203873 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -42.789833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.789833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.789833 (E_RNA) where: Base-Base interactions energy: -16.136 where: short stacking energy: -16.136 Base-Backbone interact. energy: -0.110 local terms energy: -26.543702 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -6.700 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -42.346890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.346890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.346890 (E_RNA) where: Base-Base interactions energy: -11.167 where: short stacking energy: -9.650 Base-Backbone interact. energy: -0.025 local terms energy: -31.155056 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -40.563513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.563513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.563513 (E_RNA) where: Base-Base interactions energy: -17.992 where: short stacking energy: -14.172 Base-Backbone interact. energy: 2.356 local terms energy: -24.927779 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -1.144 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -79.358271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.358271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.358271 (E_RNA) where: Base-Base interactions energy: -42.544 where: short stacking energy: -29.870 Base-Backbone interact. energy: -0.000 local terms energy: -36.814425 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -9.107 flat angles P-C4'-P energy: -2.134 tors. eta vs tors. theta energy: -8.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -73.561088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.561088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.561088 (E_RNA) where: Base-Base interactions energy: -42.593 where: short stacking energy: -24.892 Base-Backbone interact. energy: -0.001 local terms energy: -30.967027 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -4.951 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -5.307 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: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -57.875213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.875213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.875213 (E_RNA) where: Base-Base interactions energy: -27.561 where: short stacking energy: -27.561 Base-Backbone interact. energy: -0.001 local terms energy: -30.313681 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.445 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: 4, replica: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -51.644286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.644286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.644286 (E_RNA) where: Base-Base interactions energy: -23.009 where: short stacking energy: -23.009 Base-Backbone interact. energy: 1.409 local terms energy: -30.043683 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -4.092 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: 5, replica: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -49.419045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.419045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.419045 (E_RNA) where: Base-Base interactions energy: -17.528 where: short stacking energy: -16.951 Base-Backbone interact. energy: -0.023 local terms energy: -31.868096 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -53.992413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.992413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.992413 (E_RNA) where: Base-Base interactions energy: -30.072 where: short stacking energy: -22.756 Base-Backbone interact. energy: 0.142 local terms energy: -24.062922 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -5.451 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: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -56.682693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.682693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.682693 (E_RNA) where: Base-Base interactions energy: -29.819 where: short stacking energy: -9.417 Base-Backbone interact. energy: -0.210 local terms energy: -26.653097 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -6.093 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: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -44.708538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.708538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.708538 (E_RNA) where: Base-Base interactions energy: -14.421 where: short stacking energy: -14.421 Base-Backbone interact. energy: -0.003 local terms energy: -30.284364 where: bonds (distance) C4'-P energy: -5.965 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -47.283006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.283006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.283006 (E_RNA) where: Base-Base interactions energy: -15.830 where: short stacking energy: -15.830 Base-Backbone interact. energy: -0.072 local terms energy: -31.380966 where: bonds (distance) C4'-P energy: -9.376 bonds (distance) P-C4' energy: -5.710 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -42.050150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.050150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.050150 (E_RNA) where: Base-Base interactions energy: -16.792 where: short stacking energy: -16.792 Base-Backbone interact. energy: -0.009 local terms energy: -25.248491 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -72.160579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.160579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.160579 (E_RNA) where: Base-Base interactions energy: -39.519 where: short stacking energy: -24.107 Base-Backbone interact. energy: -0.001 local terms energy: -32.640401 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -69.723534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.723534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.723534 (E_RNA) where: Base-Base interactions energy: -33.195 where: short stacking energy: -33.195 Base-Backbone interact. energy: -0.000 local terms energy: -36.528610 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -6.764 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: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -60.218294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.218294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.218294 (E_RNA) where: Base-Base interactions energy: -29.758 where: short stacking energy: -29.758 Base-Backbone interact. energy: -0.088 local terms energy: -30.372876 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -2.133 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -48.771887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.771887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.771887 (E_RNA) where: Base-Base interactions energy: -16.666 where: short stacking energy: -16.666 Base-Backbone interact. energy: -0.035 local terms energy: -32.070398 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -57.986153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.986153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.986153 (E_RNA) where: Base-Base interactions energy: -23.895 where: short stacking energy: -23.895 Base-Backbone interact. energy: -0.001 local terms energy: -34.090267 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -7.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -44.418189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.418189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.418189 (E_RNA) where: Base-Base interactions energy: -16.800 where: short stacking energy: -16.800 Base-Backbone interact. energy: -0.251 local terms energy: -27.367651 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -55.599799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.599799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.599799 (E_RNA) where: Base-Base interactions energy: -28.849 where: short stacking energy: -15.550 Base-Backbone interact. energy: -0.104 local terms energy: -26.646598 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -3.692 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: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -41.344843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.344843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.344843 (E_RNA) where: Base-Base interactions energy: -12.809 where: short stacking energy: -7.796 Base-Backbone interact. energy: -0.069 local terms energy: -28.466986 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -1.012 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: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -41.265434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.265434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.265434 (E_RNA) where: Base-Base interactions energy: -17.629 where: short stacking energy: -16.427 Base-Backbone interact. energy: -0.105 local terms energy: -23.531413 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -3.049 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -41.279290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.279290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.279290 (E_RNA) where: Base-Base interactions energy: -16.350 where: short stacking energy: -16.350 Base-Backbone interact. energy: -0.084 local terms energy: -24.845194 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -1.212 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -79.123747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.123747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.123747 (E_RNA) where: Base-Base interactions energy: -40.891 where: short stacking energy: -28.698 Base-Backbone interact. energy: 0.342 local terms energy: -38.574938 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -8.084 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: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -60.368072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.368072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.368072 (E_RNA) where: Base-Base interactions energy: -26.039 where: short stacking energy: -26.039 Base-Backbone interact. energy: -0.025 local terms energy: -34.304030 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -7.158 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -7.468 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: 3, replica: 2 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -55.812946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.812946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.812946 (E_RNA) where: Base-Base interactions energy: -23.006 where: short stacking energy: -23.006 Base-Backbone interact. energy: -0.000 local terms energy: -32.806997 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -3.184 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: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -51.183426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.183426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.183426 (E_RNA) where: Base-Base interactions energy: -22.503 where: short stacking energy: -15.370 Base-Backbone interact. energy: -0.008 local terms energy: -28.672830 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -2.997 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: 5, replica: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -56.416270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.416270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.416270 (E_RNA) where: Base-Base interactions energy: -24.080 where: short stacking energy: -24.080 Base-Backbone interact. energy: -0.001 local terms energy: -32.335153 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -48.004889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.004889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.004889 (E_RNA) where: Base-Base interactions energy: -19.538 where: short stacking energy: -19.938 Base-Backbone interact. energy: -0.027 local terms energy: -28.439710 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -4.296 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: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -42.651762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.651762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.651762 (E_RNA) where: Base-Base interactions energy: -19.610 where: short stacking energy: -14.433 Base-Backbone interact. energy: -0.122 local terms energy: -22.920007 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -2.602 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -48.433690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.433690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.433690 (E_RNA) where: Base-Base interactions energy: -19.566 where: short stacking energy: -19.566 Base-Backbone interact. energy: -0.001 local terms energy: -28.866777 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -51.138067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.138067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.138067 (E_RNA) where: Base-Base interactions energy: -22.097 where: short stacking energy: -22.097 Base-Backbone interact. energy: -0.032 local terms energy: -29.008698 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -8.561 flat angles P-C4'-P energy: -3.340 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: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -37.026208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.026208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.026208 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -10.280 Base-Backbone interact. energy: -0.095 local terms energy: -25.767905 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -3.234 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: 189 Temperature: 0.900000 Total energy: -77.319427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.319427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.319427 (E_RNA) where: Base-Base interactions energy: -42.063 where: short stacking energy: -29.819 Base-Backbone interact. energy: -0.002 local terms energy: -35.254816 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -7.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -62.286849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.286849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.286849 (E_RNA) where: Base-Base interactions energy: -24.806 where: short stacking energy: -22.986 Base-Backbone interact. energy: -0.000 local terms energy: -37.481001 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -6.281 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -60.011364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.011364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.011364 (E_RNA) where: Base-Base interactions energy: -26.890 where: short stacking energy: -26.890 Base-Backbone interact. energy: -0.000 local terms energy: -33.121519 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -59.228851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.228851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.228851 (E_RNA) where: Base-Base interactions energy: -27.775 where: short stacking energy: -18.389 Base-Backbone interact. energy: -0.080 local terms energy: -31.374326 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -5.108 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: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -58.006906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.006906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.006906 (E_RNA) where: Base-Base interactions energy: -25.442 where: short stacking energy: -25.442 Base-Backbone interact. energy: -0.013 local terms energy: -32.551035 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -52.203248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.203248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.203248 (E_RNA) where: Base-Base interactions energy: -19.700 where: short stacking energy: -19.026 Base-Backbone interact. energy: -0.009 local terms energy: -32.495113 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -6.696 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -42.355529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.355529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.355529 (E_RNA) where: Base-Base interactions energy: -15.637 where: short stacking energy: -15.637 Base-Backbone interact. energy: -0.098 local terms energy: -26.619979 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -36.398223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.398223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.398223 (E_RNA) where: Base-Base interactions energy: -10.239 where: short stacking energy: -10.116 Base-Backbone interact. energy: -0.156 local terms energy: -26.003022 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -3.469 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -45.944394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.944394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.944394 (E_RNA) where: Base-Base interactions energy: -14.939 where: short stacking energy: -14.939 Base-Backbone interact. energy: -0.006 local terms energy: -30.999381 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -5.045 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: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -40.539786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.539786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.539786 (E_RNA) where: Base-Base interactions energy: -11.457 where: short stacking energy: -11.457 Base-Backbone interact. energy: -0.166 local terms energy: -28.917224 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -1.544 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: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -65.504831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.504831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.504831 (E_RNA) where: Base-Base interactions energy: -29.633 where: short stacking energy: -29.353 Base-Backbone interact. energy: -0.001 local terms energy: -35.871445 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -6.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -77.459575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.459575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.459575 (E_RNA) where: Base-Base interactions energy: -41.823 where: short stacking energy: -26.877 Base-Backbone interact. energy: 0.090 local terms energy: -35.726254 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -63.280998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.280998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.280998 (E_RNA) where: Base-Base interactions energy: -30.380 where: short stacking energy: -21.620 Base-Backbone interact. energy: -0.004 local terms energy: -32.897307 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -62.756717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.756717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.756717 (E_RNA) where: Base-Base interactions energy: -30.756 where: short stacking energy: -19.134 Base-Backbone interact. energy: -0.004 local terms energy: -31.997032 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -66.691116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.691116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.691116 (E_RNA) where: Base-Base interactions energy: -34.005 where: short stacking energy: -24.669 Base-Backbone interact. energy: -0.023 local terms energy: -32.662955 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -5.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -48.180937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.180937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.180937 (E_RNA) where: Base-Base interactions energy: -20.083 where: short stacking energy: -20.083 Base-Backbone interact. energy: -0.000 local terms energy: -28.097584 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.802 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -43.594881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.594881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.594881 (E_RNA) where: Base-Base interactions energy: -18.641 where: short stacking energy: -18.641 Base-Backbone interact. energy: -0.084 local terms energy: -24.869651 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -4.125 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: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -51.969773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.969773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.969773 (E_RNA) where: Base-Base interactions energy: -23.508 where: short stacking energy: -23.508 Base-Backbone interact. energy: -0.021 local terms energy: -28.440732 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -1.572 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: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -44.460285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.460285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.460285 (E_RNA) where: Base-Base interactions energy: -19.753 where: short stacking energy: -12.356 Base-Backbone interact. energy: -0.013 local terms energy: -24.694225 where: bonds (distance) C4'-P energy: -5.660 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -3.337 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: 10, replica: 6 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -52.804407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.804407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.804407 (E_RNA) where: Base-Base interactions energy: -23.428 where: short stacking energy: -22.277 Base-Backbone interact. energy: -0.002 local terms energy: -29.374013 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -62.449613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.449613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.449613 (E_RNA) where: Base-Base interactions energy: -26.830 where: short stacking energy: -23.812 Base-Backbone interact. energy: -0.012 local terms energy: -35.608080 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -8.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -56.956248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.956248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.956248 (E_RNA) where: Base-Base interactions energy: -21.886 where: short stacking energy: -21.886 Base-Backbone interact. energy: -0.000 local terms energy: -35.069924 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -5.570 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: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -49.604986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.604986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.604986 (E_RNA) where: Base-Base interactions energy: -17.524 where: short stacking energy: -17.524 Base-Backbone interact. energy: -0.709 local terms energy: -31.371921 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -51.696246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.696246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.696246 (E_RNA) where: Base-Base interactions energy: -19.354 where: short stacking energy: -19.354 Base-Backbone interact. energy: -0.199 local terms energy: -32.143433 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -6.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -52.663851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.663851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.663851 (E_RNA) where: Base-Base interactions energy: -21.123 where: short stacking energy: -21.123 Base-Backbone interact. energy: -0.056 local terms energy: -31.484457 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -6.052 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.812 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: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -45.142706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.142706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.142706 (E_RNA) where: Base-Base interactions energy: -13.469 where: short stacking energy: -13.469 Base-Backbone interact. energy: -0.600 local terms energy: -31.074311 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -41.167401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.167401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.167401 (E_RNA) where: Base-Base interactions energy: -15.401 where: short stacking energy: -15.401 Base-Backbone interact. energy: -0.003 local terms energy: -25.762780 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -2.477 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -44.775865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.775865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.775865 (E_RNA) where: Base-Base interactions energy: -18.794 where: short stacking energy: -16.552 Base-Backbone interact. energy: -0.009 local terms energy: -25.972878 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -7.272 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: 0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -40.012616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.012616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.012616 (E_RNA) where: Base-Base interactions energy: -15.146 where: short stacking energy: -15.146 Base-Backbone interact. energy: -0.063 local terms energy: -24.803788 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -5.695 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: 6 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -41.061463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.061463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.061463 (E_RNA) where: Base-Base interactions energy: -12.998 where: short stacking energy: -13.498 Base-Backbone interact. energy: -0.005 local terms energy: -28.058503 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -61.616759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.616759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.616759 (E_RNA) where: Base-Base interactions energy: -28.327 where: short stacking energy: -22.025 Base-Backbone interact. energy: -0.001 local terms energy: -33.288704 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -5.774 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: 2, replica: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -60.757028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.757028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.757028 (E_RNA) where: Base-Base interactions energy: -26.067 where: short stacking energy: -22.491 Base-Backbone interact. energy: -0.012 local terms energy: -34.678324 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -9.566 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -57.597057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.597057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.597057 (E_RNA) where: Base-Base interactions energy: -26.950 where: short stacking energy: -26.950 Base-Backbone interact. energy: -0.082 local terms energy: -30.564592 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.168 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -5.270 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: 4, replica: 1 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -60.795855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.795855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.795855 (E_RNA) where: Base-Base interactions energy: -27.282 where: short stacking energy: -15.124 Base-Backbone interact. energy: -0.001 local terms energy: -33.512931 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -57.291971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.291971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.291971 (E_RNA) where: Base-Base interactions energy: -25.317 where: short stacking energy: -25.317 Base-Backbone interact. energy: -0.000 local terms energy: -31.974899 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -3.745 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: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -67.155527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.155527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.155527 (E_RNA) where: Base-Base interactions energy: -37.348 where: short stacking energy: -28.929 Base-Backbone interact. energy: -0.000 local terms energy: -29.806680 where: bonds (distance) C4'-P energy: -5.215 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -0.880 tors. eta vs tors. theta energy: -7.398 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: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -41.528718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.528718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.528718 (E_RNA) where: Base-Base interactions energy: -14.267 where: short stacking energy: -14.267 Base-Backbone interact. energy: -0.152 local terms energy: -27.109230 where: bonds (distance) C4'-P energy: -7.183 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -47.520216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.520216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.520216 (E_RNA) where: Base-Base interactions energy: -19.362 where: short stacking energy: -16.345 Base-Backbone interact. energy: -0.014 local terms energy: -28.144602 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -44.074113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.074113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.074113 (E_RNA) where: Base-Base interactions energy: -14.721 where: short stacking energy: -14.721 Base-Backbone interact. energy: -0.013 local terms energy: -29.340192 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -44.947175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.947175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.947175 (E_RNA) where: Base-Base interactions energy: -17.916 where: short stacking energy: -17.916 Base-Backbone interact. energy: -0.000 local terms energy: -27.030389 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -62.912345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.912345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.912345 (E_RNA) where: Base-Base interactions energy: -28.813 where: short stacking energy: -18.534 Base-Backbone interact. energy: -0.002 local terms energy: -34.096836 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -57.470560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.470560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.470560 (E_RNA) where: Base-Base interactions energy: -24.973 where: short stacking energy: -24.973 Base-Backbone interact. energy: -0.054 local terms energy: -32.443771 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -1.852 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: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -60.361144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.361144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.361144 (E_RNA) where: Base-Base interactions energy: -28.252 where: short stacking energy: -20.831 Base-Backbone interact. energy: -0.101 local terms energy: -32.008654 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -69.116352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.116352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.116352 (E_RNA) where: Base-Base interactions energy: -30.251 where: short stacking energy: -30.251 Base-Backbone interact. energy: -0.000 local terms energy: -38.865626 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -5.566 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: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -52.309149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.309149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.309149 (E_RNA) where: Base-Base interactions energy: -26.444 where: short stacking energy: -22.692 Base-Backbone interact. energy: -0.472 local terms energy: -25.392773 where: bonds (distance) C4'-P energy: -5.224 bonds (distance) P-C4' energy: -6.283 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -55.311845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.311845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.311845 (E_RNA) where: Base-Base interactions energy: -26.280 where: short stacking energy: -26.280 Base-Backbone interact. energy: -0.070 local terms energy: -28.961119 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -52.053547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.053547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.053547 (E_RNA) where: Base-Base interactions energy: -20.824 where: short stacking energy: -20.824 Base-Backbone interact. energy: -0.000 local terms energy: -31.229571 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -4.747 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -4.674 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: 8, replica: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -55.760160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.760160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.760160 (E_RNA) where: Base-Base interactions energy: -25.766 where: short stacking energy: -21.011 Base-Backbone interact. energy: -0.032 local terms energy: -29.962167 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -44.188950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.188950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.188950 (E_RNA) where: Base-Base interactions energy: -22.091 where: short stacking energy: -8.842 Base-Backbone interact. energy: -0.555 local terms energy: -21.542965 where: bonds (distance) C4'-P energy: -4.517 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -3.238 flat angles P-C4'-P energy: -5.046 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: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -42.017618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.017618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.017618 (E_RNA) where: Base-Base interactions energy: -13.587 where: short stacking energy: -10.880 Base-Backbone interact. energy: -0.104 local terms energy: -28.326670 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -71.998250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.998250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.998250 (E_RNA) where: Base-Base interactions energy: -32.021 where: short stacking energy: -32.021 Base-Backbone interact. energy: -0.001 local terms energy: -39.977055 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -11.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -61.588821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.588821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.588821 (E_RNA) where: Base-Base interactions energy: -26.359 where: short stacking energy: -26.359 Base-Backbone interact. energy: -0.061 local terms energy: -35.168856 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -70.002335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.002335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.002335 (E_RNA) where: Base-Base interactions energy: -31.497 where: short stacking energy: -31.497 Base-Backbone interact. energy: -0.000 local terms energy: -38.505217 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -8.834 flat angles P-C4'-P energy: -5.492 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: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -53.634797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.634797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.634797 (E_RNA) where: Base-Base interactions energy: -21.219 where: short stacking energy: -20.541 Base-Backbone interact. energy: -0.000 local terms energy: -32.415802 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.633 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -48.131848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.131848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.131848 (E_RNA) where: Base-Base interactions energy: -16.327 where: short stacking energy: -16.327 Base-Backbone interact. energy: -0.069 local terms energy: -31.735775 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -6.447 tors. eta vs tors. theta energy: -1.224 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: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -51.448327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.448327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.448327 (E_RNA) where: Base-Base interactions energy: -19.781 where: short stacking energy: -17.979 Base-Backbone interact. energy: -0.139 local terms energy: -31.528184 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -7.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -51.047838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.047838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.047838 (E_RNA) where: Base-Base interactions energy: -21.325 where: short stacking energy: -20.576 Base-Backbone interact. energy: -0.001 local terms energy: -29.721788 where: bonds (distance) C4'-P energy: -5.224 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -5.348 tors. eta vs tors. theta energy: -5.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -42.892424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.892424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.892424 (E_RNA) where: Base-Base interactions energy: -16.639 where: short stacking energy: -14.726 Base-Backbone interact. energy: 0.625 local terms energy: -26.878611 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -41.593626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.593626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.593626 (E_RNA) where: Base-Base interactions energy: -11.361 where: short stacking energy: -11.020 Base-Backbone interact. energy: -0.012 local terms energy: -30.220578 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.970 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -0.194 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: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -49.954124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.954124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.954124 (E_RNA) where: Base-Base interactions energy: -23.576 where: short stacking energy: -13.008 Base-Backbone interact. energy: -0.075 local terms energy: -26.302953 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -4.155 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: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -75.410037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.410037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.410037 (E_RNA) where: Base-Base interactions energy: -34.930 where: short stacking energy: -34.930 Base-Backbone interact. energy: -0.000 local terms energy: -40.479818 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -6.524 tors. eta vs tors. theta energy: -11.477 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: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -58.725325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.725325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.725325 (E_RNA) where: Base-Base interactions energy: -25.630 where: short stacking energy: -24.895 Base-Backbone interact. energy: -0.001 local terms energy: -33.093599 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -63.207147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.207147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.207147 (E_RNA) where: Base-Base interactions energy: -28.137 where: short stacking energy: -28.137 Base-Backbone interact. energy: -0.005 local terms energy: -35.064398 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -8.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -54.448611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.448611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.448611 (E_RNA) where: Base-Base interactions energy: -22.718 where: short stacking energy: -21.775 Base-Backbone interact. energy: 0.210 local terms energy: -31.940753 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -56.207126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.207126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.207126 (E_RNA) where: Base-Base interactions energy: -24.275 where: short stacking energy: -24.275 Base-Backbone interact. energy: -0.008 local terms energy: -31.924472 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -50.211911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.211911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.211911 (E_RNA) where: Base-Base interactions energy: -26.173 where: short stacking energy: -22.097 Base-Backbone interact. energy: -0.035 local terms energy: -24.003635 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -2.540 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -43.675619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.675619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.675619 (E_RNA) where: Base-Base interactions energy: -16.129 where: short stacking energy: -16.129 Base-Backbone interact. energy: -0.004 local terms energy: -27.542431 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -49.769959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.769959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.769959 (E_RNA) where: Base-Base interactions energy: -19.159 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.105 local terms energy: -30.506325 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -3.241 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -43.059301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.059301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.059301 (E_RNA) where: Base-Base interactions energy: -18.402 where: short stacking energy: -18.402 Base-Backbone interact. energy: -0.000 local terms energy: -24.657244 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -6.254 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: 0.572 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: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -42.516395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.516395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.516395 (E_RNA) where: Base-Base interactions energy: -12.587 where: short stacking energy: -12.587 Base-Backbone interact. energy: -0.025 local terms energy: -29.903686 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -81.731192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.731192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.731192 (E_RNA) where: Base-Base interactions energy: -51.349 where: short stacking energy: -22.466 Base-Backbone interact. energy: -0.062 local terms energy: -30.319892 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -3.404 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: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -57.667342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.667342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.667342 (E_RNA) where: Base-Base interactions energy: -23.036 where: short stacking energy: -23.036 Base-Backbone interact. energy: -0.001 local terms energy: -34.630338 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -6.766 tors. eta vs tors. theta energy: -5.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -49.377689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.377689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.377689 (E_RNA) where: Base-Base interactions energy: -18.657 where: short stacking energy: -9.860 Base-Backbone interact. energy: -0.181 local terms energy: -30.539200 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: 0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -63.294951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.294951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.294951 (E_RNA) where: Base-Base interactions energy: -26.041 where: short stacking energy: -26.041 Base-Backbone interact. energy: -0.000 local terms energy: -37.253918 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -6.004 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: 5, replica: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -50.849267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.849267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.849267 (E_RNA) where: Base-Base interactions energy: -18.385 where: short stacking energy: -13.720 Base-Backbone interact. energy: -0.000 local terms energy: -32.464087 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.821 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -48.348747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.348747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.348747 (E_RNA) where: Base-Base interactions energy: -20.278 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.004 local terms energy: -28.065850 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -4.963 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: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -48.734245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.734245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.734245 (E_RNA) where: Base-Base interactions energy: -20.423 where: short stacking energy: -14.392 Base-Backbone interact. energy: -0.254 local terms energy: -28.057030 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -41.550652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.550652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.550652 (E_RNA) where: Base-Base interactions energy: -14.528 where: short stacking energy: -14.528 Base-Backbone interact. energy: -0.002 local terms energy: -27.019873 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -46.717219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.717219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.717219 (E_RNA) where: Base-Base interactions energy: -12.754 where: short stacking energy: -12.754 Base-Backbone interact. energy: -0.018 local terms energy: -33.944658 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -4.417 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: 10, replica: 2 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -40.415105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.415105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.415105 (E_RNA) where: Base-Base interactions energy: -17.709 where: short stacking energy: -17.709 Base-Backbone interact. energy: 1.953 local terms energy: -24.658798 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -1.979 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: 1, replica: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -78.060183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.060183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.060183 (E_RNA) where: Base-Base interactions energy: -47.254 where: short stacking energy: -14.682 Base-Backbone interact. energy: -0.152 local terms energy: -30.654057 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -2.361 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: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -62.614770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.614770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.614770 (E_RNA) where: Base-Base interactions energy: -26.502 where: short stacking energy: -24.713 Base-Backbone interact. energy: -0.009 local terms energy: -36.103705 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -6.372 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -56.208169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.208169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.208169 (E_RNA) where: Base-Base interactions energy: -23.899 where: short stacking energy: -22.205 Base-Backbone interact. energy: -0.547 local terms energy: -31.762265 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -5.769 flat angles C4'-P-C4' energy: -8.804 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -62.190482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.190482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.190482 (E_RNA) where: Base-Base interactions energy: -25.673 where: short stacking energy: -23.332 Base-Backbone interact. energy: -0.002 local terms energy: -36.515821 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -51.893259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.893259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.893259 (E_RNA) where: Base-Base interactions energy: -26.720 where: short stacking energy: -12.540 Base-Backbone interact. energy: -0.082 local terms energy: -25.091129 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -2.155 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: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -61.298519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.298519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.298519 (E_RNA) where: Base-Base interactions energy: -32.260 where: short stacking energy: -20.969 Base-Backbone interact. energy: -0.007 local terms energy: -29.031413 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.966 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: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -43.323011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.323011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.323011 (E_RNA) where: Base-Base interactions energy: -16.644 where: short stacking energy: -16.644 Base-Backbone interact. energy: -0.089 local terms energy: -26.589980 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -43.794337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.794337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.794337 (E_RNA) where: Base-Base interactions energy: -15.523 where: short stacking energy: -15.523 Base-Backbone interact. energy: 0.492 local terms energy: -28.763051 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -4.838 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: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -40.904282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.904282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.904282 (E_RNA) where: Base-Base interactions energy: -14.785 where: short stacking energy: -8.547 Base-Backbone interact. energy: -0.144 local terms energy: -25.974849 where: bonds (distance) C4'-P energy: -4.455 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -6.111 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: 10, replica: 2 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -42.523155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.523155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.523155 (E_RNA) where: Base-Base interactions energy: -12.530 where: short stacking energy: -12.530 Base-Backbone interact. energy: -0.002 local terms energy: -29.991181 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -81.470003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.470003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.470003 (E_RNA) where: Base-Base interactions energy: -45.534 where: short stacking energy: -19.583 Base-Backbone interact. energy: -0.507 local terms energy: -35.428963 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -5.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -59.769059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.769059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.769059 (E_RNA) where: Base-Base interactions energy: -23.456 where: short stacking energy: -23.456 Base-Backbone interact. energy: -0.042 local terms energy: -36.270447 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -5.481 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: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -54.004396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.004396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.004396 (E_RNA) where: Base-Base interactions energy: -24.763 where: short stacking energy: -20.720 Base-Backbone interact. energy: -0.387 local terms energy: -28.853971 where: bonds (distance) C4'-P energy: -3.738 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -59.276452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.276452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.276452 (E_RNA) where: Base-Base interactions energy: -23.973 where: short stacking energy: -23.868 Base-Backbone interact. energy: -0.000 local terms energy: -35.303396 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -7.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -54.656008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.656008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.656008 (E_RNA) where: Base-Base interactions energy: -24.067 where: short stacking energy: -24.067 Base-Backbone interact. energy: -0.011 local terms energy: -30.578627 where: bonds (distance) C4'-P energy: -4.834 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -3.959 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: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -59.222991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.222991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.222991 (E_RNA) where: Base-Base interactions energy: -27.311 where: short stacking energy: -22.887 Base-Backbone interact. energy: -0.000 local terms energy: -31.912325 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -5.374 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: 7, replica: 10 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -42.410555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.410555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.410555 (E_RNA) where: Base-Base interactions energy: -17.689 where: short stacking energy: -17.136 Base-Backbone interact. energy: -0.078 local terms energy: -24.643017 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -3.816 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: 8, replica: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -45.521936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.521936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.521936 (E_RNA) where: Base-Base interactions energy: -18.173 where: short stacking energy: -18.173 Base-Backbone interact. energy: -0.006 local terms energy: -27.343512 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -2.035 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: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -43.811344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.811344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.811344 (E_RNA) where: Base-Base interactions energy: -16.403 where: short stacking energy: -16.125 Base-Backbone interact. energy: -0.024 local terms energy: -27.384272 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -44.005688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.005688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.005688 (E_RNA) where: Base-Base interactions energy: -19.355 where: short stacking energy: -15.702 Base-Backbone interact. energy: 0.112 local terms energy: -24.762432 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -3.455 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -79.793123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.793123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.793123 (E_RNA) where: Base-Base interactions energy: -42.526 where: short stacking energy: -31.302 Base-Backbone interact. energy: -0.001 local terms energy: -37.266459 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -7.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -67.956988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.956988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.956988 (E_RNA) where: Base-Base interactions energy: -30.571 where: short stacking energy: -30.571 Base-Backbone interact. energy: -0.000 local terms energy: -37.385734 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -4.819 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: 3, replica: 4 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -53.680951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.680951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.680951 (E_RNA) where: Base-Base interactions energy: -21.937 where: short stacking energy: -20.931 Base-Backbone interact. energy: -0.142 local terms energy: -31.602239 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -3.876 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: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -59.196109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.196109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.196109 (E_RNA) where: Base-Base interactions energy: -24.285 where: short stacking energy: -24.285 Base-Backbone interact. energy: -0.001 local terms energy: -34.910326 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -8.316 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: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -47.301157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.301157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.301157 (E_RNA) where: Base-Base interactions energy: -19.328 where: short stacking energy: -19.328 Base-Backbone interact. energy: -0.097 local terms energy: -27.876650 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -50.749010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.749010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.749010 (E_RNA) where: Base-Base interactions energy: -17.729 where: short stacking energy: -17.288 Base-Backbone interact. energy: -0.001 local terms energy: -33.019051 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -57.007258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.007258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.007258 (E_RNA) where: Base-Base interactions energy: -24.004 where: short stacking energy: -12.616 Base-Backbone interact. energy: -0.010 local terms energy: -32.993340 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -3.282 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: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -51.153553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.153553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.153553 (E_RNA) where: Base-Base interactions energy: -20.789 where: short stacking energy: -20.240 Base-Backbone interact. energy: -0.006 local terms energy: -30.358556 where: bonds (distance) C4'-P energy: -3.319 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -6.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -42.285685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.285685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.285685 (E_RNA) where: Base-Base interactions energy: -21.211 where: short stacking energy: -20.310 Base-Backbone interact. energy: -0.070 local terms energy: -21.004425 where: bonds (distance) C4'-P energy: -0.372 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -6.135 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: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -44.100906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.100906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.100906 (E_RNA) where: Base-Base interactions energy: -14.949 where: short stacking energy: -14.949 Base-Backbone interact. energy: -0.288 local terms energy: -28.864003 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.327 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -69.191817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.191817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.191817 (E_RNA) where: Base-Base interactions energy: -33.924 where: short stacking energy: -23.076 Base-Backbone interact. energy: -0.734 local terms energy: -34.533314 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -8.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -81.563390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.563390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.563390 (E_RNA) where: Base-Base interactions energy: -48.588 where: short stacking energy: -28.934 Base-Backbone interact. energy: -0.013 local terms energy: -32.962643 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.837 flat angles P-C4'-P energy: -3.663 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: 3, replica: 6 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -61.504629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.504629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.504629 (E_RNA) where: Base-Base interactions energy: -25.685 where: short stacking energy: -25.685 Base-Backbone interact. energy: -0.000 local terms energy: -35.819330 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -6.380 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: 4, replica: 4 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -55.101481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.101481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.101481 (E_RNA) where: Base-Base interactions energy: -20.731 where: short stacking energy: -20.731 Base-Backbone interact. energy: -0.087 local terms energy: -34.283119 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -7.527 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: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -55.470798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.470798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.470798 (E_RNA) where: Base-Base interactions energy: -24.757 where: short stacking energy: -24.757 Base-Backbone interact. energy: -0.000 local terms energy: -30.713836 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -3.123 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: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -64.945427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.945427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.945427 (E_RNA) where: Base-Base interactions energy: -35.225 where: short stacking energy: -21.170 Base-Backbone interact. energy: -0.083 local terms energy: -29.637561 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -5.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -49.854228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.854228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.854228 (E_RNA) where: Base-Base interactions energy: -18.854 where: short stacking energy: -18.854 Base-Backbone interact. energy: -0.073 local terms energy: -30.926287 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -44.972899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.972899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.972899 (E_RNA) where: Base-Base interactions energy: -20.064 where: short stacking energy: -12.712 Base-Backbone interact. energy: -0.044 local terms energy: -24.864141 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.597 flat angles P-C4'-P energy: -0.401 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -39.178330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.178330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.178330 (E_RNA) where: Base-Base interactions energy: -15.992 where: short stacking energy: -15.992 Base-Backbone interact. energy: -0.060 local terms energy: -23.126995 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -3.843 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: 10, replica: 3 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -40.336131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.336131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.336131 (E_RNA) where: Base-Base interactions energy: -18.205 where: short stacking energy: -17.530 Base-Backbone interact. energy: -0.055 local terms energy: -22.075996 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -6.776 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -60.921235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.921235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.921235 (E_RNA) where: Base-Base interactions energy: -26.198 where: short stacking energy: -24.968 Base-Backbone interact. energy: -1.202 local terms energy: -33.521785 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -64.441126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.441126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.441126 (E_RNA) where: Base-Base interactions energy: -27.749 where: short stacking energy: -27.749 Base-Backbone interact. energy: -0.000 local terms energy: -36.692444 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -7.398 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: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -60.227405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.227405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.227405 (E_RNA) where: Base-Base interactions energy: -29.993 where: short stacking energy: -27.230 Base-Backbone interact. energy: -0.169 local terms energy: -30.065604 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -3.876 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: 4, replica: 1 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -57.137132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.137132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.137132 (E_RNA) where: Base-Base interactions energy: -21.846 where: short stacking energy: -21.846 Base-Backbone interact. energy: -0.008 local terms energy: -35.283472 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -4.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -53.044830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.044830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.044830 (E_RNA) where: Base-Base interactions energy: -23.566 where: short stacking energy: -23.566 Base-Backbone interact. energy: -0.224 local terms energy: -29.254354 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -54.472444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.472444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.472444 (E_RNA) where: Base-Base interactions energy: -21.898 where: short stacking energy: -19.242 Base-Backbone interact. energy: -0.113 local terms energy: -32.461499 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.599 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -2.278 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: 7, replica: 10 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -43.968219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.968219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.968219 (E_RNA) where: Base-Base interactions energy: -15.497 where: short stacking energy: -15.497 Base-Backbone interact. energy: -0.001 local terms energy: -28.470126 where: bonds (distance) C4'-P energy: -7.095 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -4.946 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: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -45.242799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.242799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.242799 (E_RNA) where: Base-Base interactions energy: -13.016 where: short stacking energy: -13.016 Base-Backbone interact. energy: -0.016 local terms energy: -32.211151 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.496 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -5.719 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: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -48.938331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.938331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.938331 (E_RNA) where: Base-Base interactions energy: -22.030 where: short stacking energy: -16.990 Base-Backbone interact. energy: -0.009 local terms energy: -26.898959 where: bonds (distance) C4'-P energy: -3.208 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -3.952 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: 10, replica: 3 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -42.720957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.720957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.720957 (E_RNA) where: Base-Base interactions energy: -13.189 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.000 local terms energy: -29.531649 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -4.638 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: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -74.426291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.426291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.426291 (E_RNA) where: Base-Base interactions energy: -33.837 where: short stacking energy: -33.837 Base-Backbone interact. energy: -0.000 local terms energy: -40.589321 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -9.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -66.613453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.613453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.613453 (E_RNA) where: Base-Base interactions energy: -32.512 where: short stacking energy: -23.591 Base-Backbone interact. energy: -0.000 local terms energy: -34.101517 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -55.527785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.527785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.527785 (E_RNA) where: Base-Base interactions energy: -22.070 where: short stacking energy: -21.174 Base-Backbone interact. energy: -0.109 local terms energy: -33.348783 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: -3.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -55.558236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.558236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.558236 (E_RNA) where: Base-Base interactions energy: -23.549 where: short stacking energy: -23.549 Base-Backbone interact. energy: -0.014 local terms energy: -31.994984 where: bonds (distance) C4'-P energy: -3.432 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -59.037461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.037461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.037461 (E_RNA) where: Base-Base interactions energy: -26.904 where: short stacking energy: -25.063 Base-Backbone interact. energy: -0.006 local terms energy: -32.127398 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -56.369220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.369220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.369220 (E_RNA) where: Base-Base interactions energy: -22.189 where: short stacking energy: -14.322 Base-Backbone interact. energy: -0.010 local terms energy: -34.170847 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -5.512 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: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -42.522876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.522876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.522876 (E_RNA) where: Base-Base interactions energy: -15.808 where: short stacking energy: -14.728 Base-Backbone interact. energy: -0.003 local terms energy: -26.711976 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -2.391 flat angles P-C4'-P energy: -5.669 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: 8, replica: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -50.033952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.033952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.033952 (E_RNA) where: Base-Base interactions energy: -24.684 where: short stacking energy: -24.684 Base-Backbone interact. energy: -0.083 local terms energy: -25.266663 where: bonds (distance) C4'-P energy: -5.800 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -2.497 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: 9, replica: 3 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -48.645583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.645583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.645583 (E_RNA) where: Base-Base interactions energy: -15.899 where: short stacking energy: -15.899 Base-Backbone interact. energy: -0.030 local terms energy: -32.716963 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -5.991 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -45.978708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.978708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.978708 (E_RNA) where: Base-Base interactions energy: -17.312 where: short stacking energy: -16.650 Base-Backbone interact. energy: -0.047 local terms energy: -28.619821 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.222 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -74.177682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.177682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.177682 (E_RNA) where: Base-Base interactions energy: -40.393 where: short stacking energy: -26.327 Base-Backbone interact. energy: -0.059 local terms energy: -33.726207 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -3.628 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: 2, replica: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -51.034435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.034435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.034435 (E_RNA) where: Base-Base interactions energy: -19.928 where: short stacking energy: -19.928 Base-Backbone interact. energy: -0.001 local terms energy: -31.105582 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -51.038205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.038205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.038205 (E_RNA) where: Base-Base interactions energy: -18.915 where: short stacking energy: -18.915 Base-Backbone interact. energy: -0.099 local terms energy: -32.024018 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -8.260 flat angles C4'-P-C4' energy: -9.514 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -60.108892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.108892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.108892 (E_RNA) where: Base-Base interactions energy: -25.293 where: short stacking energy: -25.293 Base-Backbone interact. energy: -0.004 local terms energy: -34.811925 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -5.565 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: 5, replica: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -60.147550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.147550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.147550 (E_RNA) where: Base-Base interactions energy: -26.247 where: short stacking energy: -26.247 Base-Backbone interact. energy: -0.005 local terms energy: -33.895407 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -6.263 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: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -53.968813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.968813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.968813 (E_RNA) where: Base-Base interactions energy: -22.234 where: short stacking energy: -22.234 Base-Backbone interact. energy: -0.035 local terms energy: -31.700253 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -5.914 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -45.813753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.813753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.813753 (E_RNA) where: Base-Base interactions energy: -23.113 where: short stacking energy: -23.113 Base-Backbone interact. energy: -0.097 local terms energy: -22.604125 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -1.210 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: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -47.184986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.184986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.184986 (E_RNA) where: Base-Base interactions energy: -16.826 where: short stacking energy: -16.826 Base-Backbone interact. energy: -0.050 local terms energy: -30.309347 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -7.193 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -36.559756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.559756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.559756 (E_RNA) where: Base-Base interactions energy: -12.891 where: short stacking energy: -12.891 Base-Backbone interact. energy: -0.101 local terms energy: -23.568378 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -4.074 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: 10, replica: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -43.939675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.939675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.939675 (E_RNA) where: Base-Base interactions energy: -16.955 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.156 local terms energy: -26.828333 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -79.377234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.377234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.377234 (E_RNA) where: Base-Base interactions energy: -42.147 where: short stacking energy: -24.363 Base-Backbone interact. energy: 0.501 local terms energy: -37.731719 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -7.554 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: 2, replica: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -61.971581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.971581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.971581 (E_RNA) where: Base-Base interactions energy: -27.668 where: short stacking energy: -27.668 Base-Backbone interact. energy: -0.000 local terms energy: -34.302713 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -6.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -58.326001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.326001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.326001 (E_RNA) where: Base-Base interactions energy: -26.294 where: short stacking energy: -22.611 Base-Backbone interact. energy: -0.000 local terms energy: -32.032183 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -0.848 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: 4, replica: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -58.109287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.109287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.109287 (E_RNA) where: Base-Base interactions energy: -26.668 where: short stacking energy: -24.570 Base-Backbone interact. energy: -0.020 local terms energy: -31.421579 where: bonds (distance) C4'-P energy: -3.975 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -7.754 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: 5, replica: 1 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -52.404545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.404545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.404545 (E_RNA) where: Base-Base interactions energy: -20.187 where: short stacking energy: -18.955 Base-Backbone interact. energy: -0.063 local terms energy: -32.154380 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -47.556199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.556199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.556199 (E_RNA) where: Base-Base interactions energy: -17.362 where: short stacking energy: -15.653 Base-Backbone interact. energy: -0.000 local terms energy: -30.194262 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -1.968 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: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -56.131867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.131867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.131867 (E_RNA) where: Base-Base interactions energy: -25.602 where: short stacking energy: -18.940 Base-Backbone interact. energy: -0.004 local terms energy: -30.525846 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -43.296452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.296452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.296452 (E_RNA) where: Base-Base interactions energy: -16.626 where: short stacking energy: -9.030 Base-Backbone interact. energy: -0.641 local terms energy: -26.029341 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -3.113 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: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -42.338635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.338635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.338635 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: 0.199 local terms energy: -29.951976 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.031 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -45.039125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.039125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.039125 (E_RNA) where: Base-Base interactions energy: -16.156 where: short stacking energy: -15.038 Base-Backbone interact. energy: -0.012 local terms energy: -28.870812 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -87.083242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.083242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.083242 (E_RNA) where: Base-Base interactions energy: -50.264 where: short stacking energy: -30.345 Base-Backbone interact. energy: -0.001 local terms energy: -36.818163 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: -7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -65.380005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.380005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.380005 (E_RNA) where: Base-Base interactions energy: -30.381 where: short stacking energy: -30.381 Base-Backbone interact. energy: -0.007 local terms energy: -34.991344 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.961 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -5.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -60.287392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.287392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.287392 (E_RNA) where: Base-Base interactions energy: -25.023 where: short stacking energy: -19.977 Base-Backbone interact. energy: -0.111 local terms energy: -35.153671 where: bonds (distance) C4'-P energy: -6.533 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -6.393 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: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -56.083626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.083626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.083626 (E_RNA) where: Base-Base interactions energy: -20.439 where: short stacking energy: -20.439 Base-Backbone interact. energy: -0.101 local terms energy: -35.542995 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -6.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -43.785738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.785738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.785738 (E_RNA) where: Base-Base interactions energy: -13.867 where: short stacking energy: -13.867 Base-Backbone interact. energy: -0.111 local terms energy: -29.807772 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -47.141896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.141896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.141896 (E_RNA) where: Base-Base interactions energy: -22.143 where: short stacking energy: -22.143 Base-Backbone interact. energy: -0.003 local terms energy: -24.996037 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -0.258 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -47.733185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.733185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.733185 (E_RNA) where: Base-Base interactions energy: -19.924 where: short stacking energy: -19.924 Base-Backbone interact. energy: -0.004 local terms energy: -27.805150 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -43.854582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.854582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.854582 (E_RNA) where: Base-Base interactions energy: -16.236 where: short stacking energy: -16.236 Base-Backbone interact. energy: -0.044 local terms energy: -27.575142 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -41.015166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.015166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.015166 (E_RNA) where: Base-Base interactions energy: -16.576 where: short stacking energy: -11.572 Base-Backbone interact. energy: -0.053 local terms energy: -24.385961 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -2.014 tors. eta vs tors. theta energy: -0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -49.830461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.830461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.830461 (E_RNA) where: Base-Base interactions energy: -25.214 where: short stacking energy: -16.416 Base-Backbone interact. energy: -0.827 local terms energy: -23.789168 where: bonds (distance) C4'-P energy: -3.324 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -4.197 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: 1, replica: 9 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -54.089812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.089812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.089812 (E_RNA) where: Base-Base interactions energy: -20.737 where: short stacking energy: -20.373 Base-Backbone interact. energy: -0.197 local terms energy: -33.155485 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -5.001 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: 6 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -82.424680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.424680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.424680 (E_RNA) where: Base-Base interactions energy: -46.685 where: short stacking energy: -22.847 Base-Backbone interact. energy: -0.001 local terms energy: -35.738388 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -5.745 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: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -58.913185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.913185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.913185 (E_RNA) where: Base-Base interactions energy: -24.974 where: short stacking energy: -24.974 Base-Backbone interact. energy: -0.000 local terms energy: -33.938833 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -5.248 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: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -65.989123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.989123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.989123 (E_RNA) where: Base-Base interactions energy: -28.897 where: short stacking energy: -28.897 Base-Backbone interact. energy: -0.000 local terms energy: -37.091635 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: -10.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -58.178362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.178362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.178362 (E_RNA) where: Base-Base interactions energy: -27.898 where: short stacking energy: -27.898 Base-Backbone interact. energy: -0.044 local terms energy: -30.236629 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -9.291 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -7.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -44.821447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.821447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.821447 (E_RNA) where: Base-Base interactions energy: -16.057 where: short stacking energy: -16.057 Base-Backbone interact. energy: -0.000 local terms energy: -28.764444 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -46.274644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.274644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.274644 (E_RNA) where: Base-Base interactions energy: -16.120 where: short stacking energy: -16.120 Base-Backbone interact. energy: -0.000 local terms energy: -30.154173 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -44.817211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.817211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.817211 (E_RNA) where: Base-Base interactions energy: -13.101 where: short stacking energy: -13.010 Base-Backbone interact. energy: -0.102 local terms energy: -31.613483 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -47.422493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.422493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.422493 (E_RNA) where: Base-Base interactions energy: -18.516 where: short stacking energy: -15.837 Base-Backbone interact. energy: -0.038 local terms energy: -28.868719 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -5.402 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -6.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -40.512220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.512220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.512220 (E_RNA) where: Base-Base interactions energy: -14.181 where: short stacking energy: -13.282 Base-Backbone interact. energy: -0.095 local terms energy: -26.235653 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -6.645 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: 9 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -63.936554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.936554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.936554 (E_RNA) where: Base-Base interactions energy: -26.656 where: short stacking energy: -26.656 Base-Backbone interact. energy: -0.000 local terms energy: -37.280813 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -5.636 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: 2, replica: 6 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -78.702124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.702124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.702124 (E_RNA) where: Base-Base interactions energy: -42.770 where: short stacking energy: -25.878 Base-Backbone interact. energy: -0.369 local terms energy: -35.563647 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -68.541769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.541769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.541769 (E_RNA) where: Base-Base interactions energy: -40.348 where: short stacking energy: -25.989 Base-Backbone interact. energy: -0.001 local terms energy: -28.193000 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -2.280 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -54.029452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.029452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.029452 (E_RNA) where: Base-Base interactions energy: -20.568 where: short stacking energy: -20.568 Base-Backbone interact. energy: -0.096 local terms energy: -33.364610 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -53.099094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.099094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.099094 (E_RNA) where: Base-Base interactions energy: -21.525 where: short stacking energy: -21.525 Base-Backbone interact. energy: -0.000 local terms energy: -31.574065 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.202 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -45.682047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.682047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.682047 (E_RNA) where: Base-Base interactions energy: -15.075 where: short stacking energy: -15.075 Base-Backbone interact. energy: -0.101 local terms energy: -30.505833 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -6.081 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: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -47.336161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.336161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.336161 (E_RNA) where: Base-Base interactions energy: -19.974 where: short stacking energy: -19.974 Base-Backbone interact. energy: -0.000 local terms energy: -27.362111 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -8.489 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -46.994543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.994543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.994543 (E_RNA) where: Base-Base interactions energy: -19.731 where: short stacking energy: -17.696 Base-Backbone interact. energy: -0.019 local terms energy: -27.244591 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -4.790 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: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -49.031409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.031409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.031409 (E_RNA) where: Base-Base interactions energy: -20.638 where: short stacking energy: -19.762 Base-Backbone interact. energy: -0.012 local terms energy: -28.381216 where: bonds (distance) C4'-P energy: -6.127 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -41.139723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.139723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.139723 (E_RNA) where: Base-Base interactions energy: -15.426 where: short stacking energy: -15.426 Base-Backbone interact. energy: -0.001 local terms energy: -25.712478 where: bonds (distance) C4'-P energy: -5.965 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -61.522068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.522068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.522068 (E_RNA) where: Base-Base interactions energy: -26.747 where: short stacking energy: -26.747 Base-Backbone interact. energy: -0.000 local terms energy: -34.775174 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -4.383 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: 2, replica: 6 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -76.829036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.829036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.829036 (E_RNA) where: Base-Base interactions energy: -40.929 where: short stacking energy: -30.078 Base-Backbone interact. energy: -0.000 local terms energy: -35.900248 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.187 flat angles P-C4'-P energy: -3.785 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: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -63.412908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.412908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.412908 (E_RNA) where: Base-Base interactions energy: -28.459 where: short stacking energy: -28.459 Base-Backbone interact. energy: -0.000 local terms energy: -34.953838 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -3.781 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: 4, replica: 1 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -55.267525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.267525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.267525 (E_RNA) where: Base-Base interactions energy: -24.639 where: short stacking energy: -19.471 Base-Backbone interact. energy: -0.424 local terms energy: -30.204399 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -6.964 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -53.771990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.771990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.771990 (E_RNA) where: Base-Base interactions energy: -20.915 where: short stacking energy: -20.915 Base-Backbone interact. energy: -0.003 local terms energy: -32.854591 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -47.655417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.655417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.655417 (E_RNA) where: Base-Base interactions energy: -18.861 where: short stacking energy: -18.861 Base-Backbone interact. energy: -0.000 local terms energy: -28.794634 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -60.386705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.386705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.386705 (E_RNA) where: Base-Base interactions energy: -29.047 where: short stacking energy: -13.819 Base-Backbone interact. energy: -0.138 local terms energy: -31.201074 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -47.666433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.666433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.666433 (E_RNA) where: Base-Base interactions energy: -16.327 where: short stacking energy: -16.327 Base-Backbone interact. energy: -0.001 local terms energy: -31.338599 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -5.262 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: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -47.127292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.127292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.127292 (E_RNA) where: Base-Base interactions energy: -18.258 where: short stacking energy: -18.258 Base-Backbone interact. energy: -0.005 local terms energy: -28.864629 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -5.497 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: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -42.152729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.152729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.152729 (E_RNA) where: Base-Base interactions energy: -12.831 where: short stacking energy: -12.831 Base-Backbone interact. energy: -0.001 local terms energy: -29.320295 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -2.366 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: 1, replica: 9 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -62.367314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.367314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.367314 (E_RNA) where: Base-Base interactions energy: -34.351 where: short stacking energy: -18.630 Base-Backbone interact. energy: -0.090 local terms energy: -27.926196 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -3.762 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: 2, replica: 6 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -74.653026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.653026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.653026 (E_RNA) where: Base-Base interactions energy: -42.944 where: short stacking energy: -28.319 Base-Backbone interact. energy: -0.015 local terms energy: -31.693586 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.518 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: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -66.223324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.223324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.223324 (E_RNA) where: Base-Base interactions energy: -31.401 where: short stacking energy: -21.429 Base-Backbone interact. energy: -0.047 local terms energy: -34.775458 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -4.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -55.459239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.459239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.459239 (E_RNA) where: Base-Base interactions energy: -25.463 where: short stacking energy: -25.463 Base-Backbone interact. energy: -0.001 local terms energy: -29.995180 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -5.237 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: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -51.097165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.097165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.097165 (E_RNA) where: Base-Base interactions energy: -24.125 where: short stacking energy: -23.355 Base-Backbone interact. energy: -0.000 local terms energy: -26.971993 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -5.329 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: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -49.236053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.236053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.236053 (E_RNA) where: Base-Base interactions energy: -22.454 where: short stacking energy: -22.454 Base-Backbone interact. energy: -0.006 local terms energy: -26.775599 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -44.851648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.851648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.851648 (E_RNA) where: Base-Base interactions energy: -18.858 where: short stacking energy: -16.367 Base-Backbone interact. energy: -0.082 local terms energy: -25.911697 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: 0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -58.443992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.443992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.443992 (E_RNA) where: Base-Base interactions energy: -27.147 where: short stacking energy: -27.147 Base-Backbone interact. energy: -0.001 local terms energy: -31.296618 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -4.865 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -8.009 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: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -48.387661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.387661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.387661 (E_RNA) where: Base-Base interactions energy: -20.377 where: short stacking energy: -12.433 Base-Backbone interact. energy: -0.002 local terms energy: -28.008523 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -39.395407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.395407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.395407 (E_RNA) where: Base-Base interactions energy: -12.762 where: short stacking energy: -11.968 Base-Backbone interact. energy: -0.058 local terms energy: -26.575960 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -0.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -64.055308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.055308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.055308 (E_RNA) where: Base-Base interactions energy: -29.840 where: short stacking energy: -28.482 Base-Backbone interact. energy: -0.007 local terms energy: -34.207751 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -6.607 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -66.405975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.405975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.405975 (E_RNA) where: Base-Base interactions energy: -29.087 where: short stacking energy: -24.310 Base-Backbone interact. energy: -0.000 local terms energy: -37.318772 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -9.272 flat angles P-C4'-P energy: -5.558 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: 3, replica: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -58.633645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.633645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.633645 (E_RNA) where: Base-Base interactions energy: -26.431 where: short stacking energy: -24.965 Base-Backbone interact. energy: -0.008 local terms energy: -32.194923 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -4.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -80.472958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.472958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.472958 (E_RNA) where: Base-Base interactions energy: -44.162 where: short stacking energy: -26.628 Base-Backbone interact. energy: -0.001 local terms energy: -36.310434 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -6.140 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: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -55.179951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.179951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.179951 (E_RNA) where: Base-Base interactions energy: -21.270 where: short stacking energy: -21.270 Base-Backbone interact. energy: -0.003 local terms energy: -33.906795 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.284 flat angles C4'-P-C4' energy: -9.070 flat angles P-C4'-P energy: -5.393 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: 6, replica: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -53.853836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.853836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.853836 (E_RNA) where: Base-Base interactions energy: -22.586 where: short stacking energy: -22.586 Base-Backbone interact. energy: -0.000 local terms energy: -31.267942 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -2.839 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: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -48.833286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.833286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.833286 (E_RNA) where: Base-Base interactions energy: -12.659 where: short stacking energy: -12.659 Base-Backbone interact. energy: -0.002 local terms energy: -36.172021 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.292 flat angles C4'-P-C4' energy: -9.151 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -48.795165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.795165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.795165 (E_RNA) where: Base-Base interactions energy: -23.178 where: short stacking energy: -17.251 Base-Backbone interact. energy: -0.018 local terms energy: -25.599242 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -2.496 flat angles P-C4'-P energy: -2.691 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: 9, replica: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -45.816114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.816114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.816114 (E_RNA) where: Base-Base interactions energy: -15.267 where: short stacking energy: -14.301 Base-Backbone interact. energy: -0.012 local terms energy: -30.537515 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -5.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -41.733241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.733241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.733241 (E_RNA) where: Base-Base interactions energy: -12.828 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.028 local terms energy: -28.876854 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -5.487 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: 1, replica: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -71.481473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.481473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.481473 (E_RNA) where: Base-Base interactions energy: -29.836 where: short stacking energy: -29.836 Base-Backbone interact. energy: -0.000 local terms energy: -41.645578 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -10.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -60.121788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.121788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.121788 (E_RNA) where: Base-Base interactions energy: -23.319 where: short stacking energy: -22.993 Base-Backbone interact. energy: -0.001 local terms energy: -36.802278 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -60.166118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.166118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.166118 (E_RNA) where: Base-Base interactions energy: -28.596 where: short stacking energy: -17.109 Base-Backbone interact. energy: -0.057 local terms energy: -31.513229 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.966 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -6.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -55.367294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.367294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.367294 (E_RNA) where: Base-Base interactions energy: -20.063 where: short stacking energy: -20.063 Base-Backbone interact. energy: -0.000 local terms energy: -35.304450 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -7.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -51.590024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.590024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.590024 (E_RNA) where: Base-Base interactions energy: -21.870 where: short stacking energy: -21.747 Base-Backbone interact. energy: -0.000 local terms energy: -29.720046 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -8.852 flat angles P-C4'-P energy: -3.420 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: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -52.873096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.873096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.873096 (E_RNA) where: Base-Base interactions energy: -20.116 where: short stacking energy: -19.238 Base-Backbone interact. energy: -0.004 local terms energy: -32.753074 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -5.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -53.571812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.571812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.571812 (E_RNA) where: Base-Base interactions energy: -21.286 where: short stacking energy: -18.662 Base-Backbone interact. energy: -0.551 local terms energy: -31.735531 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -6.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -53.198263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.198263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.198263 (E_RNA) where: Base-Base interactions energy: -30.875 where: short stacking energy: -10.613 Base-Backbone interact. energy: -0.430 local terms energy: -21.893998 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.119 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: 1.012 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: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -48.790195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.790195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.790195 (E_RNA) where: Base-Base interactions energy: -19.108 where: short stacking energy: -18.242 Base-Backbone interact. energy: -0.010 local terms energy: -29.672820 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -3.908 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: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -42.934812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.934812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.934812 (E_RNA) where: Base-Base interactions energy: -19.345 where: short stacking energy: -14.075 Base-Backbone interact. energy: -0.054 local terms energy: -23.535504 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -5.872 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: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -75.386099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.386099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.386099 (E_RNA) where: Base-Base interactions energy: -38.298 where: short stacking energy: -28.684 Base-Backbone interact. energy: -0.000 local terms energy: -37.087478 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -7.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -61.669095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.669095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.669095 (E_RNA) where: Base-Base interactions energy: -25.419 where: short stacking energy: -24.893 Base-Backbone interact. energy: -0.000 local terms energy: -36.249969 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -8.018 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: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -63.501830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.501830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.501830 (E_RNA) where: Base-Base interactions energy: -24.572 where: short stacking energy: -24.572 Base-Backbone interact. energy: -0.004 local terms energy: -38.925478 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -8.399 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -61.019308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.019308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.019308 (E_RNA) where: Base-Base interactions energy: -30.102 where: short stacking energy: -30.102 Base-Backbone interact. energy: -0.000 local terms energy: -30.917236 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -6.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -58.065602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.065602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.065602 (E_RNA) where: Base-Base interactions energy: -29.616 where: short stacking energy: -28.215 Base-Backbone interact. energy: -0.000 local terms energy: -28.449773 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -2.082 tors. eta vs tors. theta energy: -5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -45.893901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.893901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.893901 (E_RNA) where: Base-Base interactions energy: -12.245 where: short stacking energy: -12.245 Base-Backbone interact. energy: -0.005 local terms energy: -33.644267 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -51.364130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.364130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.364130 (E_RNA) where: Base-Base interactions energy: -18.260 where: short stacking energy: -18.260 Base-Backbone interact. energy: -0.013 local terms energy: -33.091237 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -40.862787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.862787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.862787 (E_RNA) where: Base-Base interactions energy: -21.084 where: short stacking energy: -14.350 Base-Backbone interact. energy: 2.740 local terms energy: -22.518860 where: bonds (distance) C4'-P energy: -5.192 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -0.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -39.812682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.812682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.812682 (E_RNA) where: Base-Base interactions energy: -13.566 where: short stacking energy: -13.566 Base-Backbone interact. energy: -0.112 local terms energy: -26.133992 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -38.855281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.855281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.855281 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -15.365 Base-Backbone interact. energy: -0.266 local terms energy: -20.321978 where: bonds (distance) C4'-P energy: -2.434 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -4.781 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: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -68.991993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.991993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.991993 (E_RNA) where: Base-Base interactions energy: -31.437 where: short stacking energy: -27.116 Base-Backbone interact. energy: -0.000 local terms energy: -37.555003 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.365 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -6.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -61.530919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.530919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.530919 (E_RNA) where: Base-Base interactions energy: -26.158 where: short stacking energy: -26.158 Base-Backbone interact. energy: -0.000 local terms energy: -35.373025 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -72.009417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.009417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.009417 (E_RNA) where: Base-Base interactions energy: -30.084 where: short stacking energy: -30.084 Base-Backbone interact. energy: -0.000 local terms energy: -41.925750 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -11.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -59.189994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.189994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.189994 (E_RNA) where: Base-Base interactions energy: -30.277 where: short stacking energy: -20.610 Base-Backbone interact. energy: -0.002 local terms energy: -28.911316 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -0.107 tors. eta vs tors. theta energy: -5.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -55.346490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.346490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.346490 (E_RNA) where: Base-Base interactions energy: -29.933 where: short stacking energy: -19.587 Base-Backbone interact. energy: -0.029 local terms energy: -25.384112 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -6.352 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: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -53.956195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.956195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.956195 (E_RNA) where: Base-Base interactions energy: -21.912 where: short stacking energy: -21.912 Base-Backbone interact. energy: -0.000 local terms energy: -32.044404 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -44.674434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.674434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.674434 (E_RNA) where: Base-Base interactions energy: -14.150 where: short stacking energy: -14.150 Base-Backbone interact. energy: -0.007 local terms energy: -30.517738 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -46.858499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.858499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.858499 (E_RNA) where: Base-Base interactions energy: -21.614 where: short stacking energy: -15.093 Base-Backbone interact. energy: 2.089 local terms energy: -27.333633 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -4.192 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -53.628532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.628532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.628532 (E_RNA) where: Base-Base interactions energy: -19.824 where: short stacking energy: -19.824 Base-Backbone interact. energy: -0.028 local terms energy: -33.776552 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -43.959228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.959228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.959228 (E_RNA) where: Base-Base interactions energy: -16.148 where: short stacking energy: -16.148 Base-Backbone interact. energy: -0.027 local terms energy: -27.784460 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -62.531530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.531530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.531530 (E_RNA) where: Base-Base interactions energy: -28.776 where: short stacking energy: -28.776 Base-Backbone interact. energy: -0.000 local terms energy: -33.755497 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -4.380 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: 2, replica: 6 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -67.481304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.481304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.481304 (E_RNA) where: Base-Base interactions energy: -35.896 where: short stacking energy: -35.896 Base-Backbone interact. energy: -0.000 local terms energy: -31.585181 where: bonds (distance) C4'-P energy: -5.187 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -3.448 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: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -64.097764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.097764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.097764 (E_RNA) where: Base-Base interactions energy: -31.740 where: short stacking energy: -22.835 Base-Backbone interact. energy: -0.001 local terms energy: -32.356611 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -5.781 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: 4, replica: 7 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -59.531401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.531401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.531401 (E_RNA) where: Base-Base interactions energy: -25.834 where: short stacking energy: -25.834 Base-Backbone interact. energy: -0.001 local terms energy: -33.696261 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -6.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -48.030706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.030706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.030706 (E_RNA) where: Base-Base interactions energy: -16.692 where: short stacking energy: -16.179 Base-Backbone interact. energy: -0.025 local terms energy: -31.314154 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -54.135885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.135885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.135885 (E_RNA) where: Base-Base interactions energy: -19.377 where: short stacking energy: -19.377 Base-Backbone interact. energy: -0.000 local terms energy: -34.758484 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -7.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -51.547506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.547506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.547506 (E_RNA) where: Base-Base interactions energy: -20.586 where: short stacking energy: -20.586 Base-Backbone interact. energy: -0.430 local terms energy: -30.531251 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -5.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -48.563390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.563390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.563390 (E_RNA) where: Base-Base interactions energy: -26.206 where: short stacking energy: -14.150 Base-Backbone interact. energy: -0.030 local terms energy: -22.327403 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -1.913 tors. eta vs tors. theta energy: 0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -49.164687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.164687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.164687 (E_RNA) where: Base-Base interactions energy: -19.054 where: short stacking energy: -19.054 Base-Backbone interact. energy: -0.000 local terms energy: -30.109812 where: bonds (distance) C4'-P energy: -5.092 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -38.056954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.056954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.056954 (E_RNA) where: Base-Base interactions energy: -11.587 where: short stacking energy: -11.587 Base-Backbone interact. energy: -0.001 local terms energy: -26.469539 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -4.957 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -2.470 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: 1, replica: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -71.160211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.160211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.160211 (E_RNA) where: Base-Base interactions energy: -35.762 where: short stacking energy: -34.701 Base-Backbone interact. energy: -0.000 local terms energy: -35.397328 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -11.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -61.454651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.454651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.454651 (E_RNA) where: Base-Base interactions energy: -25.214 where: short stacking energy: -24.535 Base-Backbone interact. energy: -0.000 local terms energy: -36.240334 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -9.445 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -7.169 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: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -70.819861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.819861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.819861 (E_RNA) where: Base-Base interactions energy: -36.147 where: short stacking energy: -24.204 Base-Backbone interact. energy: -0.001 local terms energy: -34.672212 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -6.806 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -8.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -62.345009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.345009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.345009 (E_RNA) where: Base-Base interactions energy: -27.320 where: short stacking energy: -27.320 Base-Backbone interact. energy: -0.002 local terms energy: -35.022806 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: -8.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -48.011685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.011685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.011685 (E_RNA) where: Base-Base interactions energy: -19.063 where: short stacking energy: -19.063 Base-Backbone interact. energy: -0.000 local terms energy: -28.948485 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -4.970 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: 6, replica: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -51.050989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.050989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.050989 (E_RNA) where: Base-Base interactions energy: -20.683 where: short stacking energy: -20.683 Base-Backbone interact. energy: 0.777 local terms energy: -31.144767 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.792 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -51.019814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.019814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.019814 (E_RNA) where: Base-Base interactions energy: -20.967 where: short stacking energy: -20.967 Base-Backbone interact. energy: -0.034 local terms energy: -30.019510 where: bonds (distance) C4'-P energy: -3.978 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -53.662419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.662419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.662419 (E_RNA) where: Base-Base interactions energy: -21.158 where: short stacking energy: -21.158 Base-Backbone interact. energy: -0.038 local terms energy: -32.466472 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -61.035638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.035638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.035638 (E_RNA) where: Base-Base interactions energy: -30.773 where: short stacking energy: -17.950 Base-Backbone interact. energy: -0.045 local terms energy: -30.218059 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.084 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -51.045486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.045486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.045486 (E_RNA) where: Base-Base interactions energy: -20.404 where: short stacking energy: -20.404 Base-Backbone interact. energy: -0.001 local terms energy: -30.640091 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -4.955 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: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -68.371210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.371210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.371210 (E_RNA) where: Base-Base interactions energy: -34.828 where: short stacking energy: -34.828 Base-Backbone interact. energy: -0.020 local terms energy: -33.523416 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -2.530 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -63.807215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.807215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.807215 (E_RNA) where: Base-Base interactions energy: -25.544 where: short stacking energy: -21.294 Base-Backbone interact. energy: -0.078 local terms energy: -38.184701 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.893 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -6.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -60.766607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.766607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.766607 (E_RNA) where: Base-Base interactions energy: -26.824 where: short stacking energy: -20.406 Base-Backbone interact. energy: -0.000 local terms energy: -33.942859 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -58.467170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.467170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.467170 (E_RNA) where: Base-Base interactions energy: -24.809 where: short stacking energy: -24.809 Base-Backbone interact. energy: -0.014 local terms energy: -33.643997 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -6.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -46.630588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.630588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.630588 (E_RNA) where: Base-Base interactions energy: -19.695 where: short stacking energy: -19.695 Base-Backbone interact. energy: -0.002 local terms energy: -26.934234 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.845 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: 6, replica: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -50.121250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.121250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.121250 (E_RNA) where: Base-Base interactions energy: -21.243 where: short stacking energy: -21.243 Base-Backbone interact. energy: -0.000 local terms energy: -28.878423 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -7.821 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -46.937566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.937566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.937566 (E_RNA) where: Base-Base interactions energy: -11.064 where: short stacking energy: -11.064 Base-Backbone interact. energy: -0.004 local terms energy: -35.869415 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -5.830 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: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -61.322737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.322737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.322737 (E_RNA) where: Base-Base interactions energy: -24.771 where: short stacking energy: -22.808 Base-Backbone interact. energy: -0.000 local terms energy: -36.551957 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -6.764 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: 9, replica: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -44.626140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.626140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.626140 (E_RNA) where: Base-Base interactions energy: -16.955 where: short stacking energy: -16.955 Base-Backbone interact. energy: -0.001 local terms energy: -27.669393 where: bonds (distance) C4'-P energy: -2.421 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -8.652 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -45.385312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.385312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.385312 (E_RNA) where: Base-Base interactions energy: -18.184 where: short stacking energy: -18.184 Base-Backbone interact. energy: -0.254 local terms energy: -26.947639 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -3.086 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -66.031132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.031132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.031132 (E_RNA) where: Base-Base interactions energy: -28.932 where: short stacking energy: -28.932 Base-Backbone interact. energy: -0.000 local terms energy: -37.098971 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -8.873 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -7.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -60.312372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.312372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.312372 (E_RNA) where: Base-Base interactions energy: -23.784 where: short stacking energy: -23.784 Base-Backbone interact. energy: -0.001 local terms energy: -36.527669 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -6.615 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: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -53.104712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.104712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.104712 (E_RNA) where: Base-Base interactions energy: -27.058 where: short stacking energy: -13.482 Base-Backbone interact. energy: -0.066 local terms energy: -25.980011 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -2.171 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -60.998485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.998485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.998485 (E_RNA) where: Base-Base interactions energy: -27.146 where: short stacking energy: -27.144 Base-Backbone interact. energy: -0.001 local terms energy: -33.851603 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -6.229 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: 5, replica: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -55.629761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.629761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.629761 (E_RNA) where: Base-Base interactions energy: -22.517 where: short stacking energy: -22.517 Base-Backbone interact. energy: -0.000 local terms energy: -33.112493 where: bonds (distance) C4'-P energy: -6.027 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -6.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -52.367607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.367607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.367607 (E_RNA) where: Base-Base interactions energy: -18.904 where: short stacking energy: -18.904 Base-Backbone interact. energy: -0.020 local terms energy: -33.443921 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.437 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -7.489 tors. eta vs tors. theta energy: -6.107 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: 7 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -50.839100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.839100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.839100 (E_RNA) where: Base-Base interactions energy: -19.517 where: short stacking energy: -19.365 Base-Backbone interact. energy: -0.010 local terms energy: -31.311536 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -44.959833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.959833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.959833 (E_RNA) where: Base-Base interactions energy: -15.731 where: short stacking energy: -15.731 Base-Backbone interact. energy: -0.003 local terms energy: -29.225749 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -5.605 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: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -49.537040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.537040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.537040 (E_RNA) where: Base-Base interactions energy: -25.231 where: short stacking energy: -13.367 Base-Backbone interact. energy: 0.046 local terms energy: -24.351604 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: 0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -44.689551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.689551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.689551 (E_RNA) where: Base-Base interactions energy: -19.751 where: short stacking energy: -19.751 Base-Backbone interact. energy: -0.051 local terms energy: -24.887543 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: 1.300 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: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -65.379105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.379105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.379105 (E_RNA) where: Base-Base interactions energy: -26.523 where: short stacking energy: -26.523 Base-Backbone interact. energy: -0.001 local terms energy: -38.855439 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -6.992 tors. eta vs tors. theta energy: -8.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -64.351460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.351460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.351460 (E_RNA) where: Base-Base interactions energy: -24.710 where: short stacking energy: -24.710 Base-Backbone interact. energy: -0.000 local terms energy: -39.641267 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -9.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -69.016401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.016401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.016401 (E_RNA) where: Base-Base interactions energy: -31.952 where: short stacking energy: -31.952 Base-Backbone interact. energy: -0.000 local terms energy: -37.064493 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -8.643 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: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -61.874077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.874077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.874077 (E_RNA) where: Base-Base interactions energy: -23.591 where: short stacking energy: -23.591 Base-Backbone interact. energy: -0.000 local terms energy: -38.282682 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -8.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -57.121913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.121913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.121913 (E_RNA) where: Base-Base interactions energy: -23.333 where: short stacking energy: -20.535 Base-Backbone interact. energy: -0.006 local terms energy: -33.782346 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -6.266 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: 6, replica: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -48.903128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.903128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.903128 (E_RNA) where: Base-Base interactions energy: -18.654 where: short stacking energy: -18.654 Base-Backbone interact. energy: -0.011 local terms energy: -30.238337 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -2.703 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -4.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -53.330517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.330517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.330517 (E_RNA) where: Base-Base interactions energy: -26.279 where: short stacking energy: -26.279 Base-Backbone interact. energy: -0.002 local terms energy: -27.050012 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -2.274 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: 8, replica: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -42.970502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.970502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.970502 (E_RNA) where: Base-Base interactions energy: -18.558 where: short stacking energy: -18.558 Base-Backbone interact. energy: -1.129 local terms energy: -23.283201 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: 1.548 tors. eta vs tors. theta energy: -4.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -42.947794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.947794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.947794 (E_RNA) where: Base-Base interactions energy: -12.022 where: short stacking energy: -12.022 Base-Backbone interact. energy: -0.004 local terms energy: -30.921165 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.548 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -41.397474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.397474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.397474 (E_RNA) where: Base-Base interactions energy: -12.878 where: short stacking energy: -12.607 Base-Backbone interact. energy: -0.006 local terms energy: -28.513998 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -72.609099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.609099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.609099 (E_RNA) where: Base-Base interactions energy: -35.163 where: short stacking energy: -35.163 Base-Backbone interact. energy: -0.000 local terms energy: -37.445967 where: bonds (distance) C4'-P energy: -6.694 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -4.755 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: 2, replica: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -65.165431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.165431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.165431 (E_RNA) where: Base-Base interactions energy: -27.142 where: short stacking energy: -27.142 Base-Backbone interact. energy: -0.039 local terms energy: -37.984243 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -9.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -57.919105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.919105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.919105 (E_RNA) where: Base-Base interactions energy: -23.693 where: short stacking energy: -22.414 Base-Backbone interact. energy: -0.001 local terms energy: -34.225028 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -9.408 flat angles P-C4'-P energy: -5.424 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -51.464382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.464382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.464382 (E_RNA) where: Base-Base interactions energy: -21.385 where: short stacking energy: -21.385 Base-Backbone interact. energy: -0.017 local terms energy: -30.063214 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -60.903454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.903454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.903454 (E_RNA) where: Base-Base interactions energy: -25.360 where: short stacking energy: -25.076 Base-Backbone interact. energy: 0.091 local terms energy: -35.634446 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -4.194 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: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -43.255596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.255596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.255596 (E_RNA) where: Base-Base interactions energy: -24.801 where: short stacking energy: -20.987 Base-Backbone interact. energy: -0.084 local terms energy: -18.370601 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -2.920 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.823 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: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -48.663354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.663354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.663354 (E_RNA) where: Base-Base interactions energy: -18.786 where: short stacking energy: -16.078 Base-Backbone interact. energy: -0.013 local terms energy: -29.864276 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -42.516350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.516350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.516350 (E_RNA) where: Base-Base interactions energy: -9.642 where: short stacking energy: -8.082 Base-Backbone interact. energy: -0.010 local terms energy: -32.864407 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -8.208 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -51.537898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.537898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.537898 (E_RNA) where: Base-Base interactions energy: -16.745 where: short stacking energy: -16.745 Base-Backbone interact. energy: -0.000 local terms energy: -34.792054 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -6.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -41.237374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.237374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.237374 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -12.435 Base-Backbone interact. energy: -0.056 local terms energy: -28.746767 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -72.551487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.551487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.551487 (E_RNA) where: Base-Base interactions energy: -34.378 where: short stacking energy: -34.378 Base-Backbone interact. energy: -0.000 local terms energy: -38.173172 where: bonds (distance) C4'-P energy: -6.875 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -5.667 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: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -66.865468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.865468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.865468 (E_RNA) where: Base-Base interactions energy: -29.362 where: short stacking energy: -29.362 Base-Backbone interact. energy: -0.000 local terms energy: -37.503787 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -6.174 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: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -59.393640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.393640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.393640 (E_RNA) where: Base-Base interactions energy: -24.589 where: short stacking energy: -24.589 Base-Backbone interact. energy: -0.071 local terms energy: -34.734048 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -7.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -48.932452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.932452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.932452 (E_RNA) where: Base-Base interactions energy: -18.382 where: short stacking energy: -14.474 Base-Backbone interact. energy: -0.026 local terms energy: -30.524408 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -6.185 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: 5, replica: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -56.007083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.007083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.007083 (E_RNA) where: Base-Base interactions energy: -19.489 where: short stacking energy: -19.489 Base-Backbone interact. energy: -0.000 local terms energy: -36.518167 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.028 flat angles P-C4'-P energy: -5.671 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: 6, replica: 3 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -48.409050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.409050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.409050 (E_RNA) where: Base-Base interactions energy: -21.712 where: short stacking energy: -19.278 Base-Backbone interact. energy: -0.111 local terms energy: -26.585685 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -47.186092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.186092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.186092 (E_RNA) where: Base-Base interactions energy: -21.292 where: short stacking energy: -21.292 Base-Backbone interact. energy: -0.001 local terms energy: -25.893717 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -0.337 tors. eta vs tors. theta energy: -2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -50.731962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.731962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.731962 (E_RNA) where: Base-Base interactions energy: -20.881 where: short stacking energy: -20.881 Base-Backbone interact. energy: -0.021 local terms energy: -29.830024 where: bonds (distance) C4'-P energy: -5.381 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -5.931 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: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -42.652977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.652977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.652977 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -10.585 Base-Backbone interact. energy: -0.000 local terms energy: -30.629695 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -44.230368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.230368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.230368 (E_RNA) where: Base-Base interactions energy: -15.530 where: short stacking energy: -5.709 Base-Backbone interact. energy: -0.747 local terms energy: -27.952575 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.208 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: 0.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -66.864323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.864323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.864323 (E_RNA) where: Base-Base interactions energy: -29.830 where: short stacking energy: -29.830 Base-Backbone interact. energy: -0.000 local terms energy: -37.034028 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: -8.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -55.281879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.281879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.281879 (E_RNA) where: Base-Base interactions energy: -19.879 where: short stacking energy: -19.864 Base-Backbone interact. energy: -0.001 local terms energy: -35.401897 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.357 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -65.618595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.618595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.618595 (E_RNA) where: Base-Base interactions energy: -28.927 where: short stacking energy: -27.173 Base-Backbone interact. energy: -1.318 local terms energy: -35.374055 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -8.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -71.361775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.361775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.361775 (E_RNA) where: Base-Base interactions energy: -36.323 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.002 local terms energy: -35.037065 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -2.945 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: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -47.599447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.599447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.599447 (E_RNA) where: Base-Base interactions energy: -22.546 where: short stacking energy: -13.214 Base-Backbone interact. energy: 0.190 local terms energy: -25.243645 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: 1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -45.859002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.859002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.859002 (E_RNA) where: Base-Base interactions energy: -15.166 where: short stacking energy: -15.166 Base-Backbone interact. energy: -0.004 local terms energy: -30.689081 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -4.810 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: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -49.248789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.248789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.248789 (E_RNA) where: Base-Base interactions energy: -22.988 where: short stacking energy: -22.988 Base-Backbone interact. energy: -0.000 local terms energy: -26.260653 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -45.101950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.101950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.101950 (E_RNA) where: Base-Base interactions energy: -16.211 where: short stacking energy: -16.350 Base-Backbone interact. energy: -0.013 local terms energy: -28.878191 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -0.699 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -45.060519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.060519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.060519 (E_RNA) where: Base-Base interactions energy: -19.353 where: short stacking energy: -9.705 Base-Backbone interact. energy: -0.247 local terms energy: -25.460414 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -42.826468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.826468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.826468 (E_RNA) where: Base-Base interactions energy: -14.758 where: short stacking energy: -14.758 Base-Backbone interact. energy: -0.003 local terms energy: -28.065886 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -5.160 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: 1, replica: 4 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -73.476456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.476456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.476456 (E_RNA) where: Base-Base interactions energy: -39.191 where: short stacking energy: -27.184 Base-Backbone interact. energy: -0.000 local terms energy: -34.285619 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -69.657058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.657058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.657058 (E_RNA) where: Base-Base interactions energy: -35.274 where: short stacking energy: -35.274 Base-Backbone interact. energy: -0.001 local terms energy: -34.381975 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -9.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -82.220583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.220583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.220583 (E_RNA) where: Base-Base interactions energy: -45.021 where: short stacking energy: -28.484 Base-Backbone interact. energy: -0.011 local terms energy: -37.189356 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -8.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -49.586049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.586049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.586049 (E_RNA) where: Base-Base interactions energy: -21.209 where: short stacking energy: -14.634 Base-Backbone interact. energy: -0.134 local terms energy: -28.243728 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -5.409 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -56.933204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.933204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.933204 (E_RNA) where: Base-Base interactions energy: -26.145 where: short stacking energy: -26.145 Base-Backbone interact. energy: -0.000 local terms energy: -30.787807 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -9.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -48.085323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.085323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.085323 (E_RNA) where: Base-Base interactions energy: -24.003 where: short stacking energy: -24.003 Base-Backbone interact. energy: -0.036 local terms energy: -24.046807 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -2.565 flat angles P-C4'-P energy: -1.100 tors. eta vs tors. theta energy: -4.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -49.111358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.111358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.111358 (E_RNA) where: Base-Base interactions energy: -21.170 where: short stacking energy: -21.170 Base-Backbone interact. energy: -0.003 local terms energy: -27.937854 where: bonds (distance) C4'-P energy: -4.952 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -45.979543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.979543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.979543 (E_RNA) where: Base-Base interactions energy: -13.478 where: short stacking energy: -13.478 Base-Backbone interact. energy: -0.000 local terms energy: -32.501035 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -5.665 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: 9, replica: 7 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -42.362387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.362387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.362387 (E_RNA) where: Base-Base interactions energy: -15.418 where: short stacking energy: -15.063 Base-Backbone interact. energy: -0.099 local terms energy: -26.844922 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -41.205683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.205683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.205683 (E_RNA) where: Base-Base interactions energy: -14.285 where: short stacking energy: -10.753 Base-Backbone interact. energy: -0.118 local terms energy: -26.802442 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -0.118 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: 223 Temperature: 0.900000 Total energy: -70.669596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.669596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.669596 (E_RNA) where: Base-Base interactions energy: -34.830 where: short stacking energy: -26.240 Base-Backbone interact. energy: -0.000 local terms energy: -35.838878 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -6.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -80.108545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.108545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.108545 (E_RNA) where: Base-Base interactions energy: -44.579 where: short stacking energy: -28.853 Base-Backbone interact. energy: -0.047 local terms energy: -35.482536 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -5.340 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: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -55.516681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.516681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.516681 (E_RNA) where: Base-Base interactions energy: -21.435 where: short stacking energy: -21.435 Base-Backbone interact. energy: -0.000 local terms energy: -34.081587 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -5.403 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: 4, replica: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -61.233420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.233420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.233420 (E_RNA) where: Base-Base interactions energy: -27.309 where: short stacking energy: -27.309 Base-Backbone interact. energy: -0.000 local terms energy: -33.924132 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -7.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -48.426409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.426409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.426409 (E_RNA) where: Base-Base interactions energy: -15.707 where: short stacking energy: -12.874 Base-Backbone interact. energy: -0.014 local terms energy: -32.704731 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -52.318965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.318965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.318965 (E_RNA) where: Base-Base interactions energy: -27.070 where: short stacking energy: -21.076 Base-Backbone interact. energy: -0.005 local terms energy: -25.244030 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: 0.746 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: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -51.620188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.620188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.620188 (E_RNA) where: Base-Base interactions energy: -21.606 where: short stacking energy: -21.606 Base-Backbone interact. energy: -0.001 local terms energy: -30.013122 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -47.467295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.467295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.467295 (E_RNA) where: Base-Base interactions energy: -20.145 where: short stacking energy: -20.145 Base-Backbone interact. energy: -0.004 local terms energy: -27.318377 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -0.213 tors. eta vs tors. theta energy: -6.610 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: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -42.438285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.438285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.438285 (E_RNA) where: Base-Base interactions energy: -15.913 where: short stacking energy: -15.913 Base-Backbone interact. energy: -0.001 local terms energy: -26.524553 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -4.278 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: 10, replica: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -47.332930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.332930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.332930 (E_RNA) where: Base-Base interactions energy: -17.100 where: short stacking energy: -17.100 Base-Backbone interact. energy: -0.000 local terms energy: -30.232625 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -82.313289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.313289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.313289 (E_RNA) where: Base-Base interactions energy: -46.256 where: short stacking energy: -28.600 Base-Backbone interact. energy: -0.000 local terms energy: -36.056697 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -6.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -62.080249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.080249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.080249 (E_RNA) where: Base-Base interactions energy: -28.203 where: short stacking energy: -28.203 Base-Backbone interact. energy: -0.000 local terms energy: -33.877166 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -8.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -48.418777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.418777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.418777 (E_RNA) where: Base-Base interactions energy: -14.450 where: short stacking energy: -14.450 Base-Backbone interact. energy: -0.135 local terms energy: -33.833812 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -5.193 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: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -60.506781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.506781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.506781 (E_RNA) where: Base-Base interactions energy: -28.920 where: short stacking energy: -24.212 Base-Backbone interact. energy: -0.407 local terms energy: -31.179353 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -51.483606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.483606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.483606 (E_RNA) where: Base-Base interactions energy: -19.285 where: short stacking energy: -12.934 Base-Backbone interact. energy: -0.118 local terms energy: -32.080513 where: bonds (distance) C4'-P energy: -7.208 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -44.377249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.377249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.377249 (E_RNA) where: Base-Base interactions energy: -12.642 where: short stacking energy: -12.642 Base-Backbone interact. energy: -0.008 local terms energy: -31.727452 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -2.896 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: 7 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -44.070818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.070818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.070818 (E_RNA) where: Base-Base interactions energy: -15.296 where: short stacking energy: -10.483 Base-Backbone interact. energy: -0.213 local terms energy: -28.561288 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -4.514 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: 8, replica: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -46.280875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.280875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.280875 (E_RNA) where: Base-Base interactions energy: -21.402 where: short stacking energy: -14.701 Base-Backbone interact. energy: -0.002 local terms energy: -24.876757 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -42.813601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813601 (E_RNA) where: Base-Base interactions energy: -18.109 where: short stacking energy: -15.392 Base-Backbone interact. energy: 1.476 local terms energy: -26.181277 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -3.695 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: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -53.550774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.550774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.550774 (E_RNA) where: Base-Base interactions energy: -25.479 where: short stacking energy: -16.935 Base-Backbone interact. energy: -0.979 local terms energy: -27.092429 where: bonds (distance) C4'-P energy: -2.507 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -82.390439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.390439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.390439 (E_RNA) where: Base-Base interactions energy: -43.064 where: short stacking energy: -30.177 Base-Backbone interact. energy: -0.001 local terms energy: -39.325411 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -6.982 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: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -62.002617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.002617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.002617 (E_RNA) where: Base-Base interactions energy: -26.143 where: short stacking energy: -26.143 Base-Backbone interact. energy: -0.000 local terms energy: -35.859249 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -6.177 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: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -55.916254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.916254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.916254 (E_RNA) where: Base-Base interactions energy: -20.835 where: short stacking energy: -15.052 Base-Backbone interact. energy: -0.097 local terms energy: -34.985093 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -64.987517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.987517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.987517 (E_RNA) where: Base-Base interactions energy: -30.014 where: short stacking energy: -30.014 Base-Backbone interact. energy: -0.000 local terms energy: -34.973429 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -3.189 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: 5, replica: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -46.789346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.789346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.789346 (E_RNA) where: Base-Base interactions energy: -18.942 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.055 local terms energy: -27.792572 where: bonds (distance) C4'-P energy: -5.664 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -6.349 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: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -69.064381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.064381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.064381 (E_RNA) where: Base-Base interactions energy: -29.609 where: short stacking energy: -29.609 Base-Backbone interact. energy: -0.000 local terms energy: -39.455519 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -4.999 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: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -39.571099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.571099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.571099 (E_RNA) where: Base-Base interactions energy: -13.500 where: short stacking energy: -13.500 Base-Backbone interact. energy: -0.001 local terms energy: -26.069438 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -45.552087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.552087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.552087 (E_RNA) where: Base-Base interactions energy: -22.197 where: short stacking energy: -22.197 Base-Backbone interact. energy: -0.325 local terms energy: -23.029552 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -3.521 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: 9, replica: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -42.362481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.362481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.362481 (E_RNA) where: Base-Base interactions energy: -15.076 where: short stacking energy: -10.488 Base-Backbone interact. energy: -0.117 local terms energy: -27.170078 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: 0.484 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: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -40.394270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.394270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.394270 (E_RNA) where: Base-Base interactions energy: -15.045 where: short stacking energy: -15.045 Base-Backbone interact. energy: -0.047 local terms energy: -25.302550 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -4.796 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -79.257644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.257644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.257644 (E_RNA) where: Base-Base interactions energy: -48.083 where: short stacking energy: -26.985 Base-Backbone interact. energy: -0.046 local terms energy: -31.127986 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -58.988955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.988955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.988955 (E_RNA) where: Base-Base interactions energy: -24.805 where: short stacking energy: -24.805 Base-Backbone interact. energy: -0.062 local terms energy: -34.121479 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -7.340 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: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -76.917559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.917559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.917559 (E_RNA) where: Base-Base interactions energy: -39.828 where: short stacking energy: -30.851 Base-Backbone interact. energy: -0.008 local terms energy: -37.081357 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -6.213 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: 4, replica: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -60.087548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.087548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.087548 (E_RNA) where: Base-Base interactions energy: -29.445 where: short stacking energy: -20.394 Base-Backbone interact. energy: -0.002 local terms energy: -30.640960 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -4.972 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: 5, replica: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -52.860418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.860418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.860418 (E_RNA) where: Base-Base interactions energy: -20.843 where: short stacking energy: -20.843 Base-Backbone interact. energy: -0.320 local terms energy: -31.697530 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -5.823 flat angles C4'-P-C4' energy: -9.089 flat angles P-C4'-P energy: -7.651 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: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -47.796414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.796414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.796414 (E_RNA) where: Base-Base interactions energy: -18.446 where: short stacking energy: -15.891 Base-Backbone interact. energy: 0.291 local terms energy: -29.641018 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -6.730 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -43.270144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.270144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.270144 (E_RNA) where: Base-Base interactions energy: -16.792 where: short stacking energy: -15.941 Base-Backbone interact. energy: -0.104 local terms energy: -26.374374 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -1.789 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -42.765871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.765871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.765871 (E_RNA) where: Base-Base interactions energy: -17.147 where: short stacking energy: -15.688 Base-Backbone interact. energy: -0.136 local terms energy: -25.483172 where: bonds (distance) C4'-P energy: -3.609 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -5.669 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: 9, replica: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -42.031112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.031112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.031112 (E_RNA) where: Base-Base interactions energy: -12.105 where: short stacking energy: -12.105 Base-Backbone interact. energy: -0.159 local terms energy: -29.767652 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -4.389 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: 226 Temperature: 1.350000 Total energy: -40.757842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.757842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.757842 (E_RNA) where: Base-Base interactions energy: -14.475 where: short stacking energy: -12.940 Base-Backbone interact. energy: -0.008 local terms energy: -26.275535 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -1.275 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: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -80.292354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.292354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.292354 (E_RNA) where: Base-Base interactions energy: -49.538 where: short stacking energy: -31.300 Base-Backbone interact. energy: -0.002 local terms energy: -30.752699 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -5.447 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -5.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -75.144310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.144310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.144310 (E_RNA) where: Base-Base interactions energy: -44.376 where: short stacking energy: -20.240 Base-Backbone interact. energy: 0.737 local terms energy: -31.505244 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -48.418919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.418919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.418919 (E_RNA) where: Base-Base interactions energy: -18.495 where: short stacking energy: -16.044 Base-Backbone interact. energy: -0.092 local terms energy: -29.831626 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -5.513 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: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -55.001079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.001079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.001079 (E_RNA) where: Base-Base interactions energy: -29.344 where: short stacking energy: -9.140 Base-Backbone interact. energy: -0.635 local terms energy: -25.022116 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -49.795651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.795651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.795651 (E_RNA) where: Base-Base interactions energy: -19.492 where: short stacking energy: -19.492 Base-Backbone interact. energy: -0.067 local terms energy: -30.236547 where: bonds (distance) C4'-P energy: -4.418 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -7.441 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -51.414911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.414911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.414911 (E_RNA) where: Base-Base interactions energy: -20.934 where: short stacking energy: -20.934 Base-Backbone interact. energy: -0.004 local terms energy: -30.477248 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -5.698 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: 227 Temperature: 1.200000 Total energy: -48.081198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.081198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.081198 (E_RNA) where: Base-Base interactions energy: -16.070 where: short stacking energy: -12.434 Base-Backbone interact. energy: -0.083 local terms energy: -31.928415 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.948 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: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -45.525277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.525277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.525277 (E_RNA) where: Base-Base interactions energy: -20.831 where: short stacking energy: -20.379 Base-Backbone interact. energy: -0.006 local terms energy: -24.687952 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -3.694 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.893 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: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -39.933636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.933636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.933636 (E_RNA) where: Base-Base interactions energy: -15.424 where: short stacking energy: -14.360 Base-Backbone interact. energy: -0.097 local terms energy: -24.412344 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: 1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -39.333387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.333387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.333387 (E_RNA) where: Base-Base interactions energy: -13.094 where: short stacking energy: -13.094 Base-Backbone interact. energy: 0.238 local terms energy: -26.477742 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -5.579 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: 9 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -59.747089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.747089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.747089 (E_RNA) where: Base-Base interactions energy: -27.398 where: short stacking energy: -27.398 Base-Backbone interact. energy: -0.000 local terms energy: -32.348973 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -6.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -79.198247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.198247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.198247 (E_RNA) where: Base-Base interactions energy: -44.506 where: short stacking energy: -23.691 Base-Backbone interact. energy: -0.028 local terms energy: -34.664344 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -64.841160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.841160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.841160 (E_RNA) where: Base-Base interactions energy: -34.159 where: short stacking energy: -28.649 Base-Backbone interact. energy: -0.001 local terms energy: -30.681306 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -2.705 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: 4, replica: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -59.317077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.317077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.317077 (E_RNA) where: Base-Base interactions energy: -25.898 where: short stacking energy: -23.521 Base-Backbone interact. energy: -0.000 local terms energy: -33.419142 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -7.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -47.740205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.740205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.740205 (E_RNA) where: Base-Base interactions energy: -15.495 where: short stacking energy: -15.495 Base-Backbone interact. energy: -0.062 local terms energy: -32.182898 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -2.135 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: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -44.552143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.552143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.552143 (E_RNA) where: Base-Base interactions energy: -14.956 where: short stacking energy: -13.839 Base-Backbone interact. energy: -0.071 local terms energy: -29.524544 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -0.988 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: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -57.964679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.964679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.964679 (E_RNA) where: Base-Base interactions energy: -29.049 where: short stacking energy: -20.771 Base-Backbone interact. energy: -0.024 local terms energy: -28.891429 where: bonds (distance) C4'-P energy: -4.119 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -3.057 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -6.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -56.571142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.571142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.571142 (E_RNA) where: Base-Base interactions energy: -24.192 where: short stacking energy: -24.192 Base-Backbone interact. energy: 2.561 local terms energy: -34.940032 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -7.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -42.787174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.787174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.787174 (E_RNA) where: Base-Base interactions energy: -17.537 where: short stacking energy: -17.537 Base-Backbone interact. energy: -0.002 local terms energy: -25.248038 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -39.119176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.119176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.119176 (E_RNA) where: Base-Base interactions energy: -14.983 where: short stacking energy: -9.227 Base-Backbone interact. energy: -0.010 local terms energy: -24.125607 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: 0.784 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: 9 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -58.775007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.775007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.775007 (E_RNA) where: Base-Base interactions energy: -26.854 where: short stacking energy: -26.854 Base-Backbone interact. energy: -0.000 local terms energy: -31.920741 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -6.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -61.610306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.610306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.610306 (E_RNA) where: Base-Base interactions energy: -28.703 where: short stacking energy: -28.703 Base-Backbone interact. energy: -0.001 local terms energy: -32.906473 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -5.150 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: 3, replica: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -78.014582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.014582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.014582 (E_RNA) where: Base-Base interactions energy: -44.405 where: short stacking energy: -23.701 Base-Backbone interact. energy: -0.026 local terms energy: -33.583086 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -50.436643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.436643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.436643 (E_RNA) where: Base-Base interactions energy: -25.329 where: short stacking energy: -20.862 Base-Backbone interact. energy: -0.005 local terms energy: -25.102660 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -2.404 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -60.804230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.804230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.804230 (E_RNA) where: Base-Base interactions energy: -23.023 where: short stacking energy: -22.371 Base-Backbone interact. energy: -0.000 local terms energy: -37.780422 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -6.873 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: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -50.705130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.705130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.705130 (E_RNA) where: Base-Base interactions energy: -16.964 where: short stacking energy: -16.964 Base-Backbone interact. energy: -0.015 local terms energy: -33.726496 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -48.076072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.076072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.076072 (E_RNA) where: Base-Base interactions energy: -23.761 where: short stacking energy: -18.132 Base-Backbone interact. energy: -0.011 local terms energy: -24.303946 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.221 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -3.416 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: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -49.328104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.328104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.328104 (E_RNA) where: Base-Base interactions energy: -20.291 where: short stacking energy: -20.291 Base-Backbone interact. energy: -0.000 local terms energy: -29.036655 where: bonds (distance) C4'-P energy: -4.393 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -4.103 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: 9, replica: 8 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -51.342425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.342425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.342425 (E_RNA) where: Base-Base interactions energy: -16.300 where: short stacking energy: -16.300 Base-Backbone interact. energy: -0.000 local terms energy: -35.042552 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -9.462 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -6.258 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: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -38.860264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.860264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.860264 (E_RNA) where: Base-Base interactions energy: -16.180 where: short stacking energy: -11.747 Base-Backbone interact. energy: -1.458 local terms energy: -21.222209 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -2.237 tors. eta vs tors. theta energy: 0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -64.840941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.840941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.840941 (E_RNA) where: Base-Base interactions energy: -28.495 where: short stacking energy: -28.495 Base-Backbone interact. energy: -0.000 local terms energy: -36.346124 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -59.115757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.115757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.115757 (E_RNA) where: Base-Base interactions energy: -32.971 where: short stacking energy: -21.389 Base-Backbone interact. energy: -0.238 local terms energy: -25.906358 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -57.991086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.991086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.991086 (E_RNA) where: Base-Base interactions energy: -24.159 where: short stacking energy: -21.851 Base-Backbone interact. energy: -0.002 local terms energy: -33.830689 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -52.629189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.629189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.629189 (E_RNA) where: Base-Base interactions energy: -22.184 where: short stacking energy: -21.041 Base-Backbone interact. energy: -0.005 local terms energy: -30.440377 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -4.799 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -53.485357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.485357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.485357 (E_RNA) where: Base-Base interactions energy: -19.886 where: short stacking energy: -19.886 Base-Backbone interact. energy: -0.032 local terms energy: -33.567560 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.371 flat angles C4'-P-C4' energy: -8.357 flat angles P-C4'-P energy: -6.579 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: 6, replica: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -47.148269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.148269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.148269 (E_RNA) where: Base-Base interactions energy: -23.589 where: short stacking energy: -13.899 Base-Backbone interact. energy: -0.115 local terms energy: -23.444721 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -7.631 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -1.782 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -40.267327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.267327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.267327 (E_RNA) where: Base-Base interactions energy: -17.314 where: short stacking energy: -13.396 Base-Backbone interact. energy: -0.123 local terms energy: -22.830818 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -4.652 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: 0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -46.420244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.420244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.420244 (E_RNA) where: Base-Base interactions energy: -18.224 where: short stacking energy: -18.224 Base-Backbone interact. energy: -0.012 local terms energy: -28.184656 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -44.189466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.189466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.189466 (E_RNA) where: Base-Base interactions energy: -14.663 where: short stacking energy: -14.663 Base-Backbone interact. energy: -0.071 local terms energy: -29.455040 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -41.842328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.842328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.842328 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -12.082 Base-Backbone interact. energy: 1.540 local terms energy: -31.299827 where: bonds (distance) C4'-P energy: -8.722 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -72.691711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.691711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.691711 (E_RNA) where: Base-Base interactions energy: -40.510 where: short stacking energy: -20.269 Base-Backbone interact. energy: -0.002 local terms energy: -32.179638 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -70.971149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.971149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.971149 (E_RNA) where: Base-Base interactions energy: -36.297 where: short stacking energy: -26.885 Base-Backbone interact. energy: -0.029 local terms energy: -34.644773 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -4.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -60.824098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.824098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.824098 (E_RNA) where: Base-Base interactions energy: -25.250 where: short stacking energy: -17.514 Base-Backbone interact. energy: -0.005 local terms energy: -35.569382 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.720 flat angles P-C4'-P energy: -6.421 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -56.042625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.042625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.042625 (E_RNA) where: Base-Base interactions energy: -24.147 where: short stacking energy: -24.147 Base-Backbone interact. energy: -0.000 local terms energy: -31.895825 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -2.636 tors. eta vs tors. theta energy: -5.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -55.369832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.369832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.369832 (E_RNA) where: Base-Base interactions energy: -20.933 where: short stacking energy: -19.816 Base-Backbone interact. energy: -0.007 local terms energy: -34.429800 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -6.512 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -6.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -52.369237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.369237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.369237 (E_RNA) where: Base-Base interactions energy: -19.363 where: short stacking energy: -19.363 Base-Backbone interact. energy: -0.010 local terms energy: -32.996567 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -6.696 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: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -47.509768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.509768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.509768 (E_RNA) where: Base-Base interactions energy: -18.100 where: short stacking energy: -18.100 Base-Backbone interact. energy: -0.000 local terms energy: -29.409741 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -43.925659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.925659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.925659 (E_RNA) where: Base-Base interactions energy: -14.953 where: short stacking energy: -13.902 Base-Backbone interact. energy: -0.134 local terms energy: -28.837901 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -4.435 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: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -38.853166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.853166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.853166 (E_RNA) where: Base-Base interactions energy: -9.449 where: short stacking energy: -9.449 Base-Backbone interact. energy: -0.069 local terms energy: -29.335131 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -41.659087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.659087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.659087 (E_RNA) where: Base-Base interactions energy: -16.525 where: short stacking energy: -10.623 Base-Backbone interact. energy: -0.003 local terms energy: -25.131371 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -72.123221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.123221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.123221 (E_RNA) where: Base-Base interactions energy: -31.719 where: short stacking energy: -22.833 Base-Backbone interact. energy: -0.007 local terms energy: -40.396984 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -7.768 tors. eta vs tors. theta energy: -8.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -81.751358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.751358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.751358 (E_RNA) where: Base-Base interactions energy: -46.440 where: short stacking energy: -25.600 Base-Backbone interact. energy: 0.009 local terms energy: -35.320573 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -5.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -61.641908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.641908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.641908 (E_RNA) where: Base-Base interactions energy: -24.574 where: short stacking energy: -24.574 Base-Backbone interact. energy: -0.001 local terms energy: -37.066420 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -6.834 tors. eta vs tors. theta energy: -7.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -61.557016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.557016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.557016 (E_RNA) where: Base-Base interactions energy: -25.515 where: short stacking energy: -25.515 Base-Backbone interact. energy: -0.000 local terms energy: -36.042384 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: -4.871 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: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -47.290795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.290795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.290795 (E_RNA) where: Base-Base interactions energy: -16.632 where: short stacking energy: -16.632 Base-Backbone interact. energy: -0.075 local terms energy: -30.583603 where: bonds (distance) C4'-P energy: -5.938 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -50.163932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.163932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.163932 (E_RNA) where: Base-Base interactions energy: -24.396 where: short stacking energy: -17.846 Base-Backbone interact. energy: 0.148 local terms energy: -25.915501 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -3.252 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -48.390757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.390757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.390757 (E_RNA) where: Base-Base interactions energy: -16.003 where: short stacking energy: -16.003 Base-Backbone interact. energy: -0.233 local terms energy: -32.154733 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -41.861439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.861439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.861439 (E_RNA) where: Base-Base interactions energy: -15.643 where: short stacking energy: -15.643 Base-Backbone interact. energy: -0.213 local terms energy: -26.005315 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -2.226 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: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -38.543548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.543548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.543548 (E_RNA) where: Base-Base interactions energy: -7.533 where: short stacking energy: -3.248 Base-Backbone interact. energy: -0.167 local terms energy: -30.843976 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -47.964618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.964618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.964618 (E_RNA) where: Base-Base interactions energy: -21.236 where: short stacking energy: -21.236 Base-Backbone interact. energy: -0.051 local terms energy: -26.677590 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -61.788318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.788318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.788318 (E_RNA) where: Base-Base interactions energy: -25.543 where: short stacking energy: -22.984 Base-Backbone interact. energy: -0.077 local terms energy: -36.168695 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -6.834 tors. eta vs tors. theta energy: -6.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -63.876379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.876379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.876379 (E_RNA) where: Base-Base interactions energy: -25.667 where: short stacking energy: -25.667 Base-Backbone interact. energy: -0.014 local terms energy: -38.196103 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -6.016 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: 3, replica: 6 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -75.052288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.052288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.052288 (E_RNA) where: Base-Base interactions energy: -38.994 where: short stacking energy: -23.817 Base-Backbone interact. energy: -0.001 local terms energy: -36.057293 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -6.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -61.082142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.082142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.082142 (E_RNA) where: Base-Base interactions energy: -23.240 where: short stacking energy: -23.240 Base-Backbone interact. energy: -0.000 local terms energy: -37.842007 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -5.310 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: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -47.314466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.314466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.314466 (E_RNA) where: Base-Base interactions energy: -21.257 where: short stacking energy: -15.841 Base-Backbone interact. energy: -0.234 local terms energy: -25.823176 where: bonds (distance) C4'-P energy: -2.852 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -52.333473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.333473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.333473 (E_RNA) where: Base-Base interactions energy: -19.311 where: short stacking energy: -19.036 Base-Backbone interact. energy: -0.052 local terms energy: -32.970045 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -7.505 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -53.016660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.016660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.016660 (E_RNA) where: Base-Base interactions energy: -20.634 where: short stacking energy: -20.634 Base-Backbone interact. energy: -0.001 local terms energy: -32.381677 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -6.772 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: 8, replica: 8 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -48.080357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.080357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.080357 (E_RNA) where: Base-Base interactions energy: -18.985 where: short stacking energy: -18.145 Base-Backbone interact. energy: -0.000 local terms energy: -29.095120 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -1.320 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: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -48.363908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.363908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.363908 (E_RNA) where: Base-Base interactions energy: -18.922 where: short stacking energy: -18.922 Base-Backbone interact. energy: -0.000 local terms energy: -29.442144 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -35.541525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.541525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.541525 (E_RNA) where: Base-Base interactions energy: -11.822 where: short stacking energy: -11.822 Base-Backbone interact. energy: -0.173 local terms energy: -23.546920 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -1.269 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -68.792298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.792298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.792298 (E_RNA) where: Base-Base interactions energy: -30.492 where: short stacking energy: -30.492 Base-Backbone interact. energy: -0.000 local terms energy: -38.300351 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -6.890 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: 2, replica: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -55.364390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.364390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.364390 (E_RNA) where: Base-Base interactions energy: -20.966 where: short stacking energy: -20.966 Base-Backbone interact. energy: -0.751 local terms energy: -33.646881 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -4.535 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: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -66.971143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.971143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.971143 (E_RNA) where: Base-Base interactions energy: -38.033 where: short stacking energy: -13.253 Base-Backbone interact. energy: 0.683 local terms energy: -29.621579 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -1.259 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: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -63.014628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.014628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.014628 (E_RNA) where: Base-Base interactions energy: -31.040 where: short stacking energy: -19.444 Base-Backbone interact. energy: -0.026 local terms energy: -31.949292 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -54.274975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.274975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.274975 (E_RNA) where: Base-Base interactions energy: -22.328 where: short stacking energy: -14.804 Base-Backbone interact. energy: 0.542 local terms energy: -32.489074 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -50.819431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.819431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.819431 (E_RNA) where: Base-Base interactions energy: -20.897 where: short stacking energy: -20.897 Base-Backbone interact. energy: -0.000 local terms energy: -29.922430 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.367 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: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -44.057961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.057961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.057961 (E_RNA) where: Base-Base interactions energy: -17.870 where: short stacking energy: -17.870 Base-Backbone interact. energy: -0.004 local terms energy: -26.184324 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -2.574 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: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -43.638540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.638540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.638540 (E_RNA) where: Base-Base interactions energy: -15.950 where: short stacking energy: -15.824 Base-Backbone interact. energy: -0.010 local terms energy: -27.678957 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -43.027602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.027602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.027602 (E_RNA) where: Base-Base interactions energy: -14.826 where: short stacking energy: -13.809 Base-Backbone interact. energy: -0.075 local terms energy: -28.126535 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -45.542190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.542190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.542190 (E_RNA) where: Base-Base interactions energy: -15.440 where: short stacking energy: -15.440 Base-Backbone interact. energy: -0.088 local terms energy: -30.014391 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.096 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -66.694724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.694724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.694724 (E_RNA) where: Base-Base interactions energy: -28.814 where: short stacking energy: -27.527 Base-Backbone interact. energy: -0.001 local terms energy: -37.879973 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -5.926 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: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -64.011811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.011811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.011811 (E_RNA) where: Base-Base interactions energy: -34.273 where: short stacking energy: -23.950 Base-Backbone interact. energy: -0.001 local terms energy: -29.737319 where: bonds (distance) C4'-P energy: -5.792 bonds (distance) P-C4' energy: -6.779 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -3.445 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: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -65.158688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.158688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.158688 (E_RNA) where: Base-Base interactions energy: -27.379 where: short stacking energy: -24.957 Base-Backbone interact. energy: -0.005 local terms energy: -37.774774 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -51.164999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.164999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.164999 (E_RNA) where: Base-Base interactions energy: -27.478 where: short stacking energy: -20.313 Base-Backbone interact. energy: -0.109 local terms energy: -23.577674 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -54.091457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.091457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.091457 (E_RNA) where: Base-Base interactions energy: -21.571 where: short stacking energy: -21.571 Base-Backbone interact. energy: -0.000 local terms energy: -32.520225 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -5.925 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: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -49.939884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.939884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.939884 (E_RNA) where: Base-Base interactions energy: -17.541 where: short stacking energy: -17.390 Base-Backbone interact. energy: -0.001 local terms energy: -32.398269 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -52.647643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.647643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.647643 (E_RNA) where: Base-Base interactions energy: -24.023 where: short stacking energy: -24.023 Base-Backbone interact. energy: -0.000 local terms energy: -28.623931 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -7.400 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -51.628851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.628851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.628851 (E_RNA) where: Base-Base interactions energy: -18.289 where: short stacking energy: -13.317 Base-Backbone interact. energy: -0.001 local terms energy: -33.339355 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.318 flat angles P-C4'-P energy: -6.541 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: 9, replica: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -45.007639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.007639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.007639 (E_RNA) where: Base-Base interactions energy: -16.401 where: short stacking energy: -12.245 Base-Backbone interact. energy: -0.604 local terms energy: -28.002708 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -37.285243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.285243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.285243 (E_RNA) where: Base-Base interactions energy: -12.172 where: short stacking energy: -11.250 Base-Backbone interact. energy: -0.039 local terms energy: -25.073683 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -4.037 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -78.521883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.521883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.521883 (E_RNA) where: Base-Base interactions energy: -41.818 where: short stacking energy: -31.220 Base-Backbone interact. energy: -0.000 local terms energy: -36.703414 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -8.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -60.142961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.142961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.142961 (E_RNA) where: Base-Base interactions energy: -27.410 where: short stacking energy: -26.404 Base-Backbone interact. energy: -0.018 local terms energy: -32.715020 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -6.317 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: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -57.122572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.122572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.122572 (E_RNA) where: Base-Base interactions energy: -23.727 where: short stacking energy: -23.727 Base-Backbone interact. energy: -0.046 local terms energy: -33.350067 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -64.622921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.622921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.622921 (E_RNA) where: Base-Base interactions energy: -35.044 where: short stacking energy: -22.326 Base-Backbone interact. energy: 1.091 local terms energy: -30.669634 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -4.556 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -54.876465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.876465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.876465 (E_RNA) where: Base-Base interactions energy: -25.377 where: short stacking energy: -25.377 Base-Backbone interact. energy: -0.000 local terms energy: -29.499307 where: bonds (distance) C4'-P energy: -4.239 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -6.286 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: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -49.296193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.296193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.296193 (E_RNA) where: Base-Base interactions energy: -16.253 where: short stacking energy: -16.253 Base-Backbone interact. energy: -0.000 local terms energy: -33.043287 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -45.030551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.030551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.030551 (E_RNA) where: Base-Base interactions energy: -16.880 where: short stacking energy: -16.880 Base-Backbone interact. energy: -0.000 local terms energy: -28.150602 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -1.376 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -44.218411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.218411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.218411 (E_RNA) where: Base-Base interactions energy: -14.010 where: short stacking energy: -14.010 Base-Backbone interact. energy: -0.039 local terms energy: -30.169222 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -3.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -46.792476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.792476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.792476 (E_RNA) where: Base-Base interactions energy: -18.419 where: short stacking energy: -18.419 Base-Backbone interact. energy: -0.551 local terms energy: -27.822976 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -6.340 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -5.883 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: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -46.327289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.327289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.327289 (E_RNA) where: Base-Base interactions energy: -16.267 where: short stacking energy: -15.780 Base-Backbone interact. energy: -0.117 local terms energy: -29.943618 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -4.512 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: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -82.712103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.712103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.712103 (E_RNA) where: Base-Base interactions energy: -47.017 where: short stacking energy: -28.291 Base-Backbone interact. energy: -0.014 local terms energy: -35.680460 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -6.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -64.772431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.772431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.772431 (E_RNA) where: Base-Base interactions energy: -26.548 where: short stacking energy: -26.548 Base-Backbone interact. energy: -0.048 local terms energy: -38.176097 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -7.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -55.579126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.579126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.579126 (E_RNA) where: Base-Base interactions energy: -22.688 where: short stacking energy: -22.688 Base-Backbone interact. energy: -0.000 local terms energy: -32.890476 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -62.395016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.395016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.395016 (E_RNA) where: Base-Base interactions energy: -24.314 where: short stacking energy: -24.314 Base-Backbone interact. energy: -0.004 local terms energy: -38.077333 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.802 flat angles P-C4'-P energy: -5.738 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: 5, replica: 9 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -69.180639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.180639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.180639 (E_RNA) where: Base-Base interactions energy: -35.530 where: short stacking energy: -21.580 Base-Backbone interact. energy: -0.550 local terms energy: -33.101011 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -48.151345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.151345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.151345 (E_RNA) where: Base-Base interactions energy: -19.022 where: short stacking energy: -18.843 Base-Backbone interact. energy: -0.066 local terms energy: -29.063718 where: bonds (distance) C4'-P energy: -8.180 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.198 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: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -41.596196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.596196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.596196 (E_RNA) where: Base-Base interactions energy: -20.672 where: short stacking energy: -20.672 Base-Backbone interact. energy: -0.052 local terms energy: -20.872056 where: bonds (distance) C4'-P energy: -3.911 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -1.875 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -48.457689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.457689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.457689 (E_RNA) where: Base-Base interactions energy: -18.475 where: short stacking energy: -18.475 Base-Backbone interact. energy: -0.100 local terms energy: -29.882793 where: bonds (distance) C4'-P energy: -7.600 bonds (distance) P-C4' energy: -5.640 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -5.700 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: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -44.964416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.964416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.964416 (E_RNA) where: Base-Base interactions energy: -16.699 where: short stacking energy: -9.352 Base-Backbone interact. energy: -0.239 local terms energy: -28.026316 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -5.604 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: 10, replica: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -47.369416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.369416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.369416 (E_RNA) where: Base-Base interactions energy: -15.601 where: short stacking energy: -15.601 Base-Backbone interact. energy: -0.035 local terms energy: -31.733333 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.191 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: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -71.237568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.237568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.237568 (E_RNA) where: Base-Base interactions energy: -33.134 where: short stacking energy: -31.660 Base-Backbone interact. energy: -0.000 local terms energy: -38.103128 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -10.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -62.780760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.780760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.780760 (E_RNA) where: Base-Base interactions energy: -25.144 where: short stacking energy: -25.144 Base-Backbone interact. energy: -0.017 local terms energy: -37.619678 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -4.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -70.769740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.769740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.769740 (E_RNA) where: Base-Base interactions energy: -32.099 where: short stacking energy: -32.099 Base-Backbone interact. energy: -0.000 local terms energy: -38.670501 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.958 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -8.843 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: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -59.344985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.344985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.344985 (E_RNA) where: Base-Base interactions energy: -26.631 where: short stacking energy: -26.631 Base-Backbone interact. energy: -0.000 local terms energy: -32.714201 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -0.377 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: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -56.727567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.727567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.727567 (E_RNA) where: Base-Base interactions energy: -31.547 where: short stacking energy: -22.131 Base-Backbone interact. energy: -0.077 local terms energy: -25.104049 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -2.778 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: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -50.014167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.014167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.014167 (E_RNA) where: Base-Base interactions energy: -16.647 where: short stacking energy: -16.647 Base-Backbone interact. energy: -0.000 local terms energy: -33.366761 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.758 flat angles P-C4'-P energy: -2.977 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: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -47.251346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.251346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.251346 (E_RNA) where: Base-Base interactions energy: -17.635 where: short stacking energy: -17.635 Base-Backbone interact. energy: -0.003 local terms energy: -29.612728 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -51.463505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.463505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.463505 (E_RNA) where: Base-Base interactions energy: -22.951 where: short stacking energy: -22.951 Base-Backbone interact. energy: -0.024 local terms energy: -28.489181 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -3.242 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: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -43.113853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.113853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.113853 (E_RNA) where: Base-Base interactions energy: -15.338 where: short stacking energy: -15.338 Base-Backbone interact. energy: -0.007 local terms energy: -27.769128 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.608 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -2.948 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -41.297757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.297757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.297757 (E_RNA) where: Base-Base interactions energy: -13.513 where: short stacking energy: -13.513 Base-Backbone interact. energy: -0.008 local terms energy: -27.776058 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -62.995109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.995109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.995109 (E_RNA) where: Base-Base interactions energy: -29.883 where: short stacking energy: -29.883 Base-Backbone interact. energy: -0.056 local terms energy: -33.055561 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -59.607042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.607042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.607042 (E_RNA) where: Base-Base interactions energy: -25.471 where: short stacking energy: -25.471 Base-Backbone interact. energy: -0.000 local terms energy: -34.135821 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -3.789 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: 3, replica: 7 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -57.656599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.656599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.656599 (E_RNA) where: Base-Base interactions energy: -25.011 where: short stacking energy: -20.425 Base-Backbone interact. energy: -0.002 local terms energy: -32.643601 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -3.301 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: 4, replica: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -51.381770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.381770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.381770 (E_RNA) where: Base-Base interactions energy: -25.468 where: short stacking energy: -23.777 Base-Backbone interact. energy: -0.203 local terms energy: -25.710309 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -0.513 tors. eta vs tors. theta energy: -2.798 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: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -58.065539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.065539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.065539 (E_RNA) where: Base-Base interactions energy: -25.538 where: short stacking energy: -25.538 Base-Backbone interact. energy: -0.000 local terms energy: -32.527942 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -2.177 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: 6, replica: 2 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -47.918558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.918558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.918558 (E_RNA) where: Base-Base interactions energy: -17.032 where: short stacking energy: -17.032 Base-Backbone interact. energy: -0.017 local terms energy: -30.869226 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -1.748 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: 7, replica: 9 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -45.264564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.264564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.264564 (E_RNA) where: Base-Base interactions energy: -18.374 where: short stacking energy: -12.024 Base-Backbone interact. energy: -0.063 local terms energy: -26.827038 where: bonds (distance) C4'-P energy: -5.770 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -48.685204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.685204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.685204 (E_RNA) where: Base-Base interactions energy: -17.817 where: short stacking energy: -17.817 Base-Backbone interact. energy: -0.014 local terms energy: -30.854674 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -1.043 tors. eta vs tors. theta energy: -6.475 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: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -39.586583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.586583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.586583 (E_RNA) where: Base-Base interactions energy: -13.311 where: short stacking energy: -13.311 Base-Backbone interact. energy: -0.038 local terms energy: -26.237878 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -5.633 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -37.477926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.477926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.477926 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.359 local terms energy: -23.591328 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -5.358 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: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -63.502379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.502379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.502379 (E_RNA) where: Base-Base interactions energy: -29.197 where: short stacking energy: -28.696 Base-Backbone interact. energy: -0.001 local terms energy: -34.304986 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -6.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -57.293450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.293450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.293450 (E_RNA) where: Base-Base interactions energy: -20.148 where: short stacking energy: -16.625 Base-Backbone interact. energy: 0.150 local terms energy: -37.295850 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -6.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -60.310002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.310002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.310002 (E_RNA) where: Base-Base interactions energy: -24.787 where: short stacking energy: -24.787 Base-Backbone interact. energy: -0.001 local terms energy: -35.522429 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -8.419 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -6.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -60.421448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.421448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.421448 (E_RNA) where: Base-Base interactions energy: -26.055 where: short stacking energy: -26.055 Base-Backbone interact. energy: -0.000 local terms energy: -34.366923 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -6.471 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: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -50.631193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.631193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.631193 (E_RNA) where: Base-Base interactions energy: -21.126 where: short stacking energy: -20.407 Base-Backbone interact. energy: -0.033 local terms energy: -29.472038 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -46.286780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.286780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.286780 (E_RNA) where: Base-Base interactions energy: -17.667 where: short stacking energy: -17.667 Base-Backbone interact. energy: -0.008 local terms energy: -28.611696 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -46.425008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.425008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.425008 (E_RNA) where: Base-Base interactions energy: -14.769 where: short stacking energy: -14.769 Base-Backbone interact. energy: -0.096 local terms energy: -31.560342 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -6.563 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: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -49.272540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.272540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.272540 (E_RNA) where: Base-Base interactions energy: -16.283 where: short stacking energy: -16.283 Base-Backbone interact. energy: -0.024 local terms energy: -32.964985 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -39.143327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.143327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.143327 (E_RNA) where: Base-Base interactions energy: -11.745 where: short stacking energy: -11.745 Base-Backbone interact. energy: -0.713 local terms energy: -26.685151 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -4.850 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: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -46.066739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.066739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.066739 (E_RNA) where: Base-Base interactions energy: -18.422 where: short stacking energy: -18.422 Base-Backbone interact. energy: -0.001 local terms energy: -27.643990 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -6.638 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -68.881322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.881322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.881322 (E_RNA) where: Base-Base interactions energy: -29.957 where: short stacking energy: -26.959 Base-Backbone interact. energy: -0.000 local terms energy: -38.924187 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -6.126 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: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -70.706972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.706972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.706972 (E_RNA) where: Base-Base interactions energy: -34.030 where: short stacking energy: -34.030 Base-Backbone interact. energy: -0.000 local terms energy: -36.676827 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -9.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -57.487573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.487573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.487573 (E_RNA) where: Base-Base interactions energy: -25.813 where: short stacking energy: -24.888 Base-Backbone interact. energy: -0.262 local terms energy: -31.412101 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -6.418 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -56.117678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.117678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.117678 (E_RNA) where: Base-Base interactions energy: -22.756 where: short stacking energy: -22.756 Base-Backbone interact. energy: -0.096 local terms energy: -33.264934 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -4.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -56.469304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.469304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.469304 (E_RNA) where: Base-Base interactions energy: -27.713 where: short stacking energy: -22.778 Base-Backbone interact. energy: -0.223 local terms energy: -28.533051 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -4.987 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: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -51.168787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.168787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.168787 (E_RNA) where: Base-Base interactions energy: -17.240 where: short stacking energy: -17.240 Base-Backbone interact. energy: -0.058 local terms energy: -33.869999 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -6.728 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: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -47.746756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.746756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.746756 (E_RNA) where: Base-Base interactions energy: -21.585 where: short stacking energy: -20.951 Base-Backbone interact. energy: -0.000 local terms energy: -26.161524 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -2.563 tors. eta vs tors. theta energy: -6.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -53.733549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.733549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.733549 (E_RNA) where: Base-Base interactions energy: -20.698 where: short stacking energy: -20.698 Base-Backbone interact. energy: -0.000 local terms energy: -33.035476 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.490 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -45.014093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.014093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.014093 (E_RNA) where: Base-Base interactions energy: -21.729 where: short stacking energy: -14.931 Base-Backbone interact. energy: -0.001 local terms energy: -23.284106 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -3.902 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -1.485 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -41.623174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.623174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.623174 (E_RNA) where: Base-Base interactions energy: -18.175 where: short stacking energy: -18.015 Base-Backbone interact. energy: -0.317 local terms energy: -23.131374 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -2.787 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -67.949966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.949966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.949966 (E_RNA) where: Base-Base interactions energy: -31.561 where: short stacking energy: -31.561 Base-Backbone interact. energy: -0.007 local terms energy: -36.382305 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -10.050 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: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -63.807330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.807330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.807330 (E_RNA) where: Base-Base interactions energy: -29.369 where: short stacking energy: -29.369 Base-Backbone interact. energy: -0.000 local terms energy: -34.438566 where: bonds (distance) C4'-P energy: -6.333 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -4.885 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: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -53.378762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.378762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.378762 (E_RNA) where: Base-Base interactions energy: -22.567 where: short stacking energy: -22.567 Base-Backbone interact. energy: -0.025 local terms energy: -30.786562 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -60.776867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.776867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.776867 (E_RNA) where: Base-Base interactions energy: -29.638 where: short stacking energy: -28.577 Base-Backbone interact. energy: -0.001 local terms energy: -31.138242 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -1.140 tors. eta vs tors. theta energy: -8.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -51.306567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.306567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.306567 (E_RNA) where: Base-Base interactions energy: -21.017 where: short stacking energy: -21.017 Base-Backbone interact. energy: -0.003 local terms energy: -30.286730 where: bonds (distance) C4'-P energy: -3.763 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -5.573 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: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -50.592500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.592500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.592500 (E_RNA) where: Base-Base interactions energy: -18.458 where: short stacking energy: -18.458 Base-Backbone interact. energy: -0.028 local terms energy: -32.106339 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -50.924912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.924912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.924912 (E_RNA) where: Base-Base interactions energy: -19.180 where: short stacking energy: -19.180 Base-Backbone interact. energy: 0.978 local terms energy: -32.722851 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -44.265486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.265486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.265486 (E_RNA) where: Base-Base interactions energy: -18.831 where: short stacking energy: -17.675 Base-Backbone interact. energy: -0.013 local terms energy: -25.421178 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -37.699007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.699007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.699007 (E_RNA) where: Base-Base interactions energy: -11.517 where: short stacking energy: -11.026 Base-Backbone interact. energy: -0.218 local terms energy: -25.963518 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -5.479 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -5.908 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: 242 Temperature: 1.350000 Total energy: -43.358833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.358833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.358833 (E_RNA) where: Base-Base interactions energy: -11.463 where: short stacking energy: -11.463 Base-Backbone interact. energy: -0.005 local terms energy: -31.891018 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -70.044692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.044692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.044692 (E_RNA) where: Base-Base interactions energy: -31.285 where: short stacking energy: -31.285 Base-Backbone interact. energy: -0.002 local terms energy: -38.757972 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -9.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -55.364746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.364746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.364746 (E_RNA) where: Base-Base interactions energy: -22.296 where: short stacking energy: -22.296 Base-Backbone interact. energy: -0.095 local terms energy: -32.972873 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -4.255 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: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -50.372909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.372909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.372909 (E_RNA) where: Base-Base interactions energy: -20.396 where: short stacking energy: -16.512 Base-Backbone interact. energy: -0.584 local terms energy: -29.393030 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -52.681011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.681011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.681011 (E_RNA) where: Base-Base interactions energy: -20.142 where: short stacking energy: -20.142 Base-Backbone interact. energy: -0.042 local terms energy: -32.496503 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.662 flat angles P-C4'-P energy: -5.149 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: 5, replica: 6 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -59.710590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.710590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.710590 (E_RNA) where: Base-Base interactions energy: -29.293 where: short stacking energy: -16.263 Base-Backbone interact. energy: -0.277 local terms energy: -30.141024 where: bonds (distance) C4'-P energy: -7.837 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -47.329901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.329901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.329901 (E_RNA) where: Base-Base interactions energy: -22.216 where: short stacking energy: -17.050 Base-Backbone interact. energy: -0.073 local terms energy: -25.040842 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -2.557 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: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -43.317332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.317332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.317332 (E_RNA) where: Base-Base interactions energy: -11.820 where: short stacking energy: -9.476 Base-Backbone interact. energy: -0.062 local terms energy: -31.435729 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -0.488 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: 8, replica: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -40.069326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.069326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.069326 (E_RNA) where: Base-Base interactions energy: -12.098 where: short stacking energy: -9.709 Base-Backbone interact. energy: -0.096 local terms energy: -27.875451 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: 0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -44.382287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.382287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.382287 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.015 local terms energy: -33.798782 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -5.787 tors. eta vs tors. theta energy: -3.867 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: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -40.603091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.603091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.603091 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.007 local terms energy: -27.546500 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -62.470485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.470485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.470485 (E_RNA) where: Base-Base interactions energy: -27.795 where: short stacking energy: -27.795 Base-Backbone interact. energy: -0.000 local terms energy: -34.675137 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -5.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -64.222334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.222334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.222334 (E_RNA) where: Base-Base interactions energy: -29.408 where: short stacking energy: -28.640 Base-Backbone interact. energy: -0.006 local terms energy: -34.808392 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -7.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -64.639749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.639749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.639749 (E_RNA) where: Base-Base interactions energy: -32.985 where: short stacking energy: -32.985 Base-Backbone interact. energy: -0.000 local terms energy: -31.654493 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -6.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -57.550639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.550639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.550639 (E_RNA) where: Base-Base interactions energy: -26.359 where: short stacking energy: -19.171 Base-Backbone interact. energy: -0.037 local terms energy: -31.154519 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -4.404 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -6.071 tors. eta vs tors. theta energy: -5.110 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: 9 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -47.771767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.771767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.771767 (E_RNA) where: Base-Base interactions energy: -15.423 where: short stacking energy: -15.423 Base-Backbone interact. energy: -0.105 local terms energy: -32.243612 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -4.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -58.834037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.834037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.834037 (E_RNA) where: Base-Base interactions energy: -26.792 where: short stacking energy: -19.773 Base-Backbone interact. energy: -0.001 local terms energy: -32.040452 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -2.636 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: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -40.253178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.253178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.253178 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.028 local terms energy: -26.722276 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -44.471060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.471060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.471060 (E_RNA) where: Base-Base interactions energy: -14.446 where: short stacking energy: -14.446 Base-Backbone interact. energy: -0.004 local terms energy: -30.021361 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -5.123 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -1.922 tors. eta vs tors. theta energy: -5.705 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: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -41.529284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.529284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.529284 (E_RNA) where: Base-Base interactions energy: -14.445 where: short stacking energy: -14.445 Base-Backbone interact. energy: -0.027 local terms energy: -27.057205 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: 0.548 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: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -49.954750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.954750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.954750 (E_RNA) where: Base-Base interactions energy: -21.955 where: short stacking energy: -21.955 Base-Backbone interact. energy: -0.032 local terms energy: -27.967360 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -57.550158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.550158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.550158 (E_RNA) where: Base-Base interactions energy: -24.251 where: short stacking energy: -23.954 Base-Backbone interact. energy: -0.005 local terms energy: -33.294423 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -6.670 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: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -54.210683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.210683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.210683 (E_RNA) where: Base-Base interactions energy: -25.726 where: short stacking energy: -15.120 Base-Backbone interact. energy: -0.024 local terms energy: -28.461341 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -74.134427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.134427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.134427 (E_RNA) where: Base-Base interactions energy: -35.606 where: short stacking energy: -35.606 Base-Backbone interact. energy: -0.000 local terms energy: -38.528194 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -5.329 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: 4, replica: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -54.130493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.130493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.130493 (E_RNA) where: Base-Base interactions energy: -21.986 where: short stacking energy: -22.086 Base-Backbone interact. energy: -0.010 local terms energy: -32.134287 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.656 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -49.613114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.613114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.613114 (E_RNA) where: Base-Base interactions energy: -21.661 where: short stacking energy: -10.818 Base-Backbone interact. energy: -0.100 local terms energy: -27.852208 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.577 flat angles P-C4'-P energy: -1.180 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -51.380700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.380700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.380700 (E_RNA) where: Base-Base interactions energy: -24.495 where: short stacking energy: -18.685 Base-Backbone interact. energy: -0.075 local terms energy: -26.810117 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -2.519 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -49.585085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.585085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.585085 (E_RNA) where: Base-Base interactions energy: -16.976 where: short stacking energy: -16.976 Base-Backbone interact. energy: -0.002 local terms energy: -32.607080 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -6.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -43.878030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.878030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.878030 (E_RNA) where: Base-Base interactions energy: -15.545 where: short stacking energy: -15.545 Base-Backbone interact. energy: -0.027 local terms energy: -28.306282 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -1.138 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: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -39.999124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.999124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.999124 (E_RNA) where: Base-Base interactions energy: -16.227 where: short stacking energy: -15.803 Base-Backbone interact. energy: -0.147 local terms energy: -23.625187 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: 0.627 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -38.538599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.538599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.538599 (E_RNA) where: Base-Base interactions energy: -14.974 where: short stacking energy: -9.404 Base-Backbone interact. energy: -0.089 local terms energy: -23.474975 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -5.751 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: 2.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -64.385902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.385902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.385902 (E_RNA) where: Base-Base interactions energy: -31.307 where: short stacking energy: -26.175 Base-Backbone interact. energy: -0.000 local terms energy: -33.079279 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -1.669 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: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -59.011100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.011100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.011100 (E_RNA) where: Base-Base interactions energy: -23.115 where: short stacking energy: -23.115 Base-Backbone interact. energy: -0.001 local terms energy: -35.894589 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.777 flat angles P-C4'-P energy: -4.139 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: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -54.432285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.432285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.432285 (E_RNA) where: Base-Base interactions energy: -25.781 where: short stacking energy: -25.781 Base-Backbone interact. energy: -0.000 local terms energy: -28.650943 where: bonds (distance) C4'-P energy: -7.344 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -2.194 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: 4, replica: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -57.650134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.650134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.650134 (E_RNA) where: Base-Base interactions energy: -27.156 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.005 local terms energy: -30.489441 where: bonds (distance) C4'-P energy: -4.562 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -9.056 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -5.020 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: 5, replica: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -57.708675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.708675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.708675 (E_RNA) where: Base-Base interactions energy: -26.336 where: short stacking energy: -17.093 Base-Backbone interact. energy: 1.440 local terms energy: -32.813226 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -5.437 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: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -53.606734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.606734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.606734 (E_RNA) where: Base-Base interactions energy: -25.451 where: short stacking energy: -25.451 Base-Backbone interact. energy: -0.002 local terms energy: -28.154173 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -5.451 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: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -49.149665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.149665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.149665 (E_RNA) where: Base-Base interactions energy: -23.072 where: short stacking energy: -23.072 Base-Backbone interact. energy: -0.031 local terms energy: -26.046916 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -50.953524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.953524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.953524 (E_RNA) where: Base-Base interactions energy: -18.274 where: short stacking energy: -18.274 Base-Backbone interact. energy: -0.014 local terms energy: -32.666132 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -4.235 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: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -45.640682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.640682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.640682 (E_RNA) where: Base-Base interactions energy: -18.433 where: short stacking energy: -7.004 Base-Backbone interact. energy: -0.758 local terms energy: -26.450539 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: 0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -41.796382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.796382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.796382 (E_RNA) where: Base-Base interactions energy: -16.012 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.079 local terms energy: -25.704849 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -65.005745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.005745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.005745 (E_RNA) where: Base-Base interactions energy: -29.899 where: short stacking energy: -29.899 Base-Backbone interact. energy: -0.002 local terms energy: -35.104485 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -6.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -60.423316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.423316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.423316 (E_RNA) where: Base-Base interactions energy: -24.507 where: short stacking energy: -24.507 Base-Backbone interact. energy: -0.000 local terms energy: -35.916729 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.868 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -5.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -58.450687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.450687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.450687 (E_RNA) where: Base-Base interactions energy: -26.801 where: short stacking energy: -26.801 Base-Backbone interact. energy: -0.000 local terms energy: -31.649566 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.403 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -5.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -55.371401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.371401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.371401 (E_RNA) where: Base-Base interactions energy: -19.367 where: short stacking energy: -19.367 Base-Backbone interact. energy: -0.044 local terms energy: -35.960257 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -7.743 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: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -46.543636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.543636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.543636 (E_RNA) where: Base-Base interactions energy: -15.382 where: short stacking energy: -15.382 Base-Backbone interact. energy: -0.126 local terms energy: -31.034907 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -3.497 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: 247 Temperature: 1.150000 Total energy: -52.101486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.101486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.101486 (E_RNA) where: Base-Base interactions energy: -18.721 where: short stacking energy: -18.721 Base-Backbone interact. energy: -0.000 local terms energy: -33.380239 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -4.467 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: 7, replica: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -51.246732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.246732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.246732 (E_RNA) where: Base-Base interactions energy: -22.513 where: short stacking energy: -22.513 Base-Backbone interact. energy: -0.046 local terms energy: -28.687122 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -47.635485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.635485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.635485 (E_RNA) where: Base-Base interactions energy: -15.589 where: short stacking energy: -15.589 Base-Backbone interact. energy: -0.141 local terms energy: -31.905978 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -1.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -43.062407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.062407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.062407 (E_RNA) where: Base-Base interactions energy: -18.020 where: short stacking energy: -14.467 Base-Backbone interact. energy: -0.000 local terms energy: -25.041724 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.599 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: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -49.190313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.190313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.190313 (E_RNA) where: Base-Base interactions energy: -19.188 where: short stacking energy: -19.863 Base-Backbone interact. energy: -0.730 local terms energy: -29.271382 where: bonds (distance) C4'-P energy: -5.034 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -3.306 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: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -60.443174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.443174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.443174 (E_RNA) where: Base-Base interactions energy: -27.657 where: short stacking energy: -27.657 Base-Backbone interact. energy: -0.000 local terms energy: -32.785622 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -54.666544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.666544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.666544 (E_RNA) where: Base-Base interactions energy: -25.411 where: short stacking energy: -25.411 Base-Backbone interact. energy: -0.052 local terms energy: -29.202986 where: bonds (distance) C4'-P energy: -3.225 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -59.980339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.980339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.980339 (E_RNA) where: Base-Base interactions energy: -36.740 where: short stacking energy: -6.690 Base-Backbone interact. energy: -0.096 local terms energy: -23.144434 where: bonds (distance) C4'-P energy: -6.581 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: 4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -58.857970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.857970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.857970 (E_RNA) where: Base-Base interactions energy: -24.609 where: short stacking energy: -24.609 Base-Backbone interact. energy: -0.389 local terms energy: -33.860521 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -5.492 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: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -55.232851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.232851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.232851 (E_RNA) where: Base-Base interactions energy: -23.462 where: short stacking energy: -20.350 Base-Backbone interact. energy: -0.000 local terms energy: -31.770562 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -50.121900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.121900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.121900 (E_RNA) where: Base-Base interactions energy: -22.071 where: short stacking energy: -22.071 Base-Backbone interact. energy: 0.225 local terms energy: -28.275950 where: bonds (distance) C4'-P energy: -4.930 bonds (distance) P-C4' energy: -7.979 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -44.276914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.276914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.276914 (E_RNA) where: Base-Base interactions energy: -12.500 where: short stacking energy: -12.500 Base-Backbone interact. energy: -0.113 local terms energy: -31.664026 where: bonds (distance) C4'-P energy: -7.721 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -3.827 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: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -52.594993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.594993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.594993 (E_RNA) where: Base-Base interactions energy: -24.511 where: short stacking energy: -11.105 Base-Backbone interact. energy: -0.777 local terms energy: -27.307755 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -41.870931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.870931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.870931 (E_RNA) where: Base-Base interactions energy: -17.295 where: short stacking energy: -17.295 Base-Backbone interact. energy: -0.026 local terms energy: -24.550071 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -41.383219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.383219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.383219 (E_RNA) where: Base-Base interactions energy: -9.052 where: short stacking energy: -9.052 Base-Backbone interact. energy: -0.200 local terms energy: -32.131296 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -5.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -61.196772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.196772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.196772 (E_RNA) where: Base-Base interactions energy: -25.685 where: short stacking energy: -25.685 Base-Backbone interact. energy: -0.001 local terms energy: -35.510808 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -6.695 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: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -61.223149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.223149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.223149 (E_RNA) where: Base-Base interactions energy: -25.284 where: short stacking energy: -24.802 Base-Backbone interact. energy: -0.028 local terms energy: -35.911130 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -60.409250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.409250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.409250 (E_RNA) where: Base-Base interactions energy: -25.925 where: short stacking energy: -25.925 Base-Backbone interact. energy: -0.000 local terms energy: -34.483929 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -6.091 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: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -56.617249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.617249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.617249 (E_RNA) where: Base-Base interactions energy: -20.737 where: short stacking energy: -20.737 Base-Backbone interact. energy: -0.001 local terms energy: -35.879139 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -52.849589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.849589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.849589 (E_RNA) where: Base-Base interactions energy: -20.295 where: short stacking energy: -20.295 Base-Backbone interact. energy: -0.002 local terms energy: -32.552645 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -49.036590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.036590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.036590 (E_RNA) where: Base-Base interactions energy: -19.596 where: short stacking energy: -15.883 Base-Backbone interact. energy: -0.659 local terms energy: -28.781567 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -4.871 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: 7, replica: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -43.852712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.852712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.852712 (E_RNA) where: Base-Base interactions energy: -12.131 where: short stacking energy: -12.131 Base-Backbone interact. energy: -0.086 local terms energy: -31.635681 where: bonds (distance) C4'-P energy: -7.236 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -40.247635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.247635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.247635 (E_RNA) where: Base-Base interactions energy: -13.612 where: short stacking energy: -11.699 Base-Backbone interact. energy: -0.018 local terms energy: -26.617834 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: 2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -41.662502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.662502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.662502 (E_RNA) where: Base-Base interactions energy: -17.299 where: short stacking energy: -17.299 Base-Backbone interact. energy: -0.075 local terms energy: -24.288469 where: bonds (distance) C4'-P energy: -4.757 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -0.326 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: 10, replica: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -37.644959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.644959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.644959 (E_RNA) where: Base-Base interactions energy: -10.887 where: short stacking energy: -10.887 Base-Backbone interact. energy: -0.003 local terms energy: -26.754464 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -2.501 flat angles P-C4'-P energy: -4.693 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: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -66.681053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.681053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.681053 (E_RNA) where: Base-Base interactions energy: -26.749 where: short stacking energy: -26.749 Base-Backbone interact. energy: -0.001 local terms energy: -39.931738 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -6.595 tors. eta vs tors. theta energy: -10.329 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: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -57.739968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.739968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.739968 (E_RNA) where: Base-Base interactions energy: -23.196 where: short stacking energy: -16.964 Base-Backbone interact. energy: -0.001 local terms energy: -34.542854 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -6.230 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: 3, replica: 4 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -64.268753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.268753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.268753 (E_RNA) where: Base-Base interactions energy: -29.189 where: short stacking energy: -29.189 Base-Backbone interact. energy: -0.003 local terms energy: -35.076901 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -3.991 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: 4, replica: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -62.798737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.798737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.798737 (E_RNA) where: Base-Base interactions energy: -26.378 where: short stacking energy: -26.378 Base-Backbone interact. energy: -0.003 local terms energy: -36.417796 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -7.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -78.099117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.099117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.099117 (E_RNA) where: Base-Base interactions energy: -41.766 where: short stacking energy: -26.234 Base-Backbone interact. energy: -0.000 local terms energy: -36.332764 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -6.492 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -45.349755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.349755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.349755 (E_RNA) where: Base-Base interactions energy: -17.540 where: short stacking energy: -17.540 Base-Backbone interact. energy: -0.082 local terms energy: -27.727161 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -3.866 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: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -46.743211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.743211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.743211 (E_RNA) where: Base-Base interactions energy: -17.806 where: short stacking energy: -15.442 Base-Backbone interact. energy: -0.054 local terms energy: -28.883055 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -3.545 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -4.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -47.084769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.084769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.084769 (E_RNA) where: Base-Base interactions energy: -14.361 where: short stacking energy: -14.361 Base-Backbone interact. energy: -0.060 local terms energy: -32.663480 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -4.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -39.348561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.348561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.348561 (E_RNA) where: Base-Base interactions energy: -12.766 where: short stacking energy: -11.907 Base-Backbone interact. energy: -0.061 local terms energy: -26.521669 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -4.616 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: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -42.443439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.443439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.443439 (E_RNA) where: Base-Base interactions energy: -16.367 where: short stacking energy: -12.958 Base-Backbone interact. energy: -0.003 local terms energy: -26.074214 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -6.749 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -72.574697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.574697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.574697 (E_RNA) where: Base-Base interactions energy: -32.967 where: short stacking energy: -32.967 Base-Backbone interact. energy: -0.000 local terms energy: -39.608020 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -3.522 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: 2, replica: 4 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -56.508824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.508824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.508824 (E_RNA) where: Base-Base interactions energy: -23.145 where: short stacking energy: -18.708 Base-Backbone interact. energy: 0.075 local terms energy: -33.439296 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -5.528 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: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -55.709323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.709323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.709323 (E_RNA) where: Base-Base interactions energy: -25.131 where: short stacking energy: -21.939 Base-Backbone interact. energy: -0.044 local terms energy: -30.534572 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.471 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -3.300 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: 4, replica: 3 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -64.364307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.364307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.364307 (E_RNA) where: Base-Base interactions energy: -33.639 where: short stacking energy: -22.023 Base-Backbone interact. energy: -0.000 local terms energy: -30.725038 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.517 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: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -59.133168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.133168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.133168 (E_RNA) where: Base-Base interactions energy: -24.162 where: short stacking energy: -24.162 Base-Backbone interact. energy: -0.089 local terms energy: -34.882316 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -5.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -50.062175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.062175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.062175 (E_RNA) where: Base-Base interactions energy: -18.584 where: short stacking energy: -18.430 Base-Backbone interact. energy: 0.081 local terms energy: -31.559560 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -4.432 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -5.665 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: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -50.103218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.103218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.103218 (E_RNA) where: Base-Base interactions energy: -20.134 where: short stacking energy: -20.134 Base-Backbone interact. energy: -0.000 local terms energy: -29.968768 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -0.095 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -5.923 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: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -46.769822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.769822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.769822 (E_RNA) where: Base-Base interactions energy: -11.268 where: short stacking energy: -11.268 Base-Backbone interact. energy: -0.000 local terms energy: -35.501879 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -6.438 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -48.408331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.408331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.408331 (E_RNA) where: Base-Base interactions energy: -17.676 where: short stacking energy: -17.676 Base-Backbone interact. energy: -0.080 local terms energy: -30.652334 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -42.964833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.964833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.964833 (E_RNA) where: Base-Base interactions energy: -16.414 where: short stacking energy: -11.833 Base-Backbone interact. energy: -0.279 local terms energy: -26.271962 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -63.842799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.842799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.842799 (E_RNA) where: Base-Base interactions energy: -26.194 where: short stacking energy: -26.194 Base-Backbone interact. energy: -0.000 local terms energy: -37.648834 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -6.123 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: 2, replica: 4 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -52.044225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.044225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.044225 (E_RNA) where: Base-Base interactions energy: -25.030 where: short stacking energy: -15.690 Base-Backbone interact. energy: -0.003 local terms energy: -27.010637 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -4.602 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: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -68.262635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.262635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.262635 (E_RNA) where: Base-Base interactions energy: -43.207 where: short stacking energy: -20.654 Base-Backbone interact. energy: 1.796 local terms energy: -26.851878 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -9.148 flat angles P-C4'-P energy: -1.101 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -57.391365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.391365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.391365 (E_RNA) where: Base-Base interactions energy: -23.779 where: short stacking energy: -23.779 Base-Backbone interact. energy: -0.000 local terms energy: -33.612441 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -54.782903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.782903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.782903 (E_RNA) where: Base-Base interactions energy: -25.711 where: short stacking energy: -17.361 Base-Backbone interact. energy: -0.008 local terms energy: -29.063844 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -6.138 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: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -55.989082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.989082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.989082 (E_RNA) where: Base-Base interactions energy: -20.321 where: short stacking energy: -20.321 Base-Backbone interact. energy: 0.109 local terms energy: -35.777448 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -6.980 tors. eta vs tors. theta energy: -3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -43.961796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.961796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.961796 (E_RNA) where: Base-Base interactions energy: -17.711 where: short stacking energy: -14.863 Base-Backbone interact. energy: -0.048 local terms energy: -26.202385 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -46.476715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.476715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.476715 (E_RNA) where: Base-Base interactions energy: -26.481 where: short stacking energy: -9.926 Base-Backbone interact. energy: -0.948 local terms energy: -19.047530 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -5.178 flat angles C4'-P-C4' energy: -2.422 flat angles P-C4'-P energy: -5.092 tors. eta vs tors. theta energy: -2.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -46.565203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.565203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.565203 (E_RNA) where: Base-Base interactions energy: -18.161 where: short stacking energy: -18.161 Base-Backbone interact. energy: -0.016 local terms energy: -28.387280 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -4.468 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: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -39.532227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.532227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.532227 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.931 Base-Backbone interact. energy: -0.067 local terms energy: -26.534342 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -59.703673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.703673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.703673 (E_RNA) where: Base-Base interactions energy: -23.685 where: short stacking energy: -23.685 Base-Backbone interact. energy: -0.000 local terms energy: -36.018619 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -8.118 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: 253 Temperature: 0.950000 Total energy: -59.299112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.299112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.299112 (E_RNA) where: Base-Base interactions energy: -26.022 where: short stacking energy: -16.455 Base-Backbone interact. energy: -0.172 local terms energy: -33.104610 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -52.184085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.184085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.184085 (E_RNA) where: Base-Base interactions energy: -19.607 where: short stacking energy: -19.607 Base-Backbone interact. energy: -0.001 local terms energy: -32.576675 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -4.703 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: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -56.530554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.530554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.530554 (E_RNA) where: Base-Base interactions energy: -28.612 where: short stacking energy: -24.438 Base-Backbone interact. energy: -0.002 local terms energy: -27.916244 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -51.082731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.082731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.082731 (E_RNA) where: Base-Base interactions energy: -19.063 where: short stacking energy: -19.063 Base-Backbone interact. energy: -0.077 local terms energy: -31.943101 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -53.007738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.007738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.007738 (E_RNA) where: Base-Base interactions energy: -20.325 where: short stacking energy: -20.325 Base-Backbone interact. energy: -0.000 local terms energy: -32.682820 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -8.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -48.840460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.840460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.840460 (E_RNA) where: Base-Base interactions energy: -18.353 where: short stacking energy: -18.353 Base-Backbone interact. energy: -0.000 local terms energy: -30.487345 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -2.381 tors. eta vs tors. theta energy: -2.597 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: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -50.600191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.600191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.600191 (E_RNA) where: Base-Base interactions energy: -20.669 where: short stacking energy: -20.669 Base-Backbone interact. energy: -0.004 local terms energy: -29.927382 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -2.131 tors. eta vs tors. theta energy: -4.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -50.547699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.547699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.547699 (E_RNA) where: Base-Base interactions energy: -20.882 where: short stacking energy: -20.882 Base-Backbone interact. energy: -0.017 local terms energy: -29.648590 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -40.272967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.272967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.272967 (E_RNA) where: Base-Base interactions energy: -12.740 where: short stacking energy: -11.515 Base-Backbone interact. energy: -0.160 local terms energy: -27.372762 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -60.362333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.362333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.362333 (E_RNA) where: Base-Base interactions energy: -27.869 where: short stacking energy: -27.869 Base-Backbone interact. energy: -0.031 local terms energy: -32.462444 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.535 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: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -63.262581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.262581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.262581 (E_RNA) where: Base-Base interactions energy: -28.577 where: short stacking energy: -28.577 Base-Backbone interact. energy: -0.000 local terms energy: -34.685658 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -8.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -58.178230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.178230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.178230 (E_RNA) where: Base-Base interactions energy: -23.137 where: short stacking energy: -23.137 Base-Backbone interact. energy: -0.081 local terms energy: -34.960022 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -5.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -51.184369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.184369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.184369 (E_RNA) where: Base-Base interactions energy: -15.318 where: short stacking energy: -15.318 Base-Backbone interact. energy: -0.048 local terms energy: -35.818841 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: -6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -56.431136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.431136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.431136 (E_RNA) where: Base-Base interactions energy: -21.175 where: short stacking energy: -21.175 Base-Backbone interact. energy: -0.000 local terms energy: -35.255646 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -5.751 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: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -56.238861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.238861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.238861 (E_RNA) where: Base-Base interactions energy: -25.436 where: short stacking energy: -24.991 Base-Backbone interact. energy: -0.014 local terms energy: -30.788993 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -5.452 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: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -53.326137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.326137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.326137 (E_RNA) where: Base-Base interactions energy: -23.514 where: short stacking energy: -23.514 Base-Backbone interact. energy: -0.000 local terms energy: -29.811453 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -1.627 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -6.946 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: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -43.151060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.151060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.151060 (E_RNA) where: Base-Base interactions energy: -13.204 where: short stacking energy: -11.671 Base-Backbone interact. energy: -0.171 local terms energy: -29.776727 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -44.407485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.407485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.407485 (E_RNA) where: Base-Base interactions energy: -16.523 where: short stacking energy: -12.188 Base-Backbone interact. energy: -0.534 local terms energy: -27.350477 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -8.176 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -42.188398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.188398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.188398 (E_RNA) where: Base-Base interactions energy: -17.919 where: short stacking energy: -17.919 Base-Backbone interact. energy: 0.588 local terms energy: -24.857769 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -61.063269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.063269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.063269 (E_RNA) where: Base-Base interactions energy: -24.082 where: short stacking energy: -18.174 Base-Backbone interact. energy: -0.120 local terms energy: -36.862047 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -5.311 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: 2, replica: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -63.087034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.087034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.087034 (E_RNA) where: Base-Base interactions energy: -25.425 where: short stacking energy: -25.425 Base-Backbone interact. energy: -0.002 local terms energy: -37.659783 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -52.958321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.958321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.958321 (E_RNA) where: Base-Base interactions energy: -20.089 where: short stacking energy: -20.089 Base-Backbone interact. energy: -0.000 local terms energy: -32.868858 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -56.860011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.860011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.860011 (E_RNA) where: Base-Base interactions energy: -20.003 where: short stacking energy: -19.477 Base-Backbone interact. energy: -0.000 local terms energy: -36.856713 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -6.139 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: 5, replica: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -56.146131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.146131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.146131 (E_RNA) where: Base-Base interactions energy: -25.605 where: short stacking energy: -23.624 Base-Backbone interact. energy: -0.000 local terms energy: -30.541021 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -53.445834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.445834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.445834 (E_RNA) where: Base-Base interactions energy: -22.797 where: short stacking energy: -22.797 Base-Backbone interact. energy: -0.000 local terms energy: -30.648742 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -6.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -47.098442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.098442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.098442 (E_RNA) where: Base-Base interactions energy: -17.959 where: short stacking energy: -16.602 Base-Backbone interact. energy: -0.087 local terms energy: -29.052152 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -43.641487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.641487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.641487 (E_RNA) where: Base-Base interactions energy: -14.366 where: short stacking energy: -14.366 Base-Backbone interact. energy: -0.000 local terms energy: -29.275394 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -4.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -49.166757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.166757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.166757 (E_RNA) where: Base-Base interactions energy: -22.374 where: short stacking energy: -18.173 Base-Backbone interact. energy: 1.332 local terms energy: -28.124904 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -48.895196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.895196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.895196 (E_RNA) where: Base-Base interactions energy: -17.274 where: short stacking energy: -15.857 Base-Backbone interact. energy: -0.003 local terms energy: -31.617950 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -1.758 tors. eta vs tors. theta energy: -5.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -61.776662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.776662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.776662 (E_RNA) where: Base-Base interactions energy: -30.946 where: short stacking energy: -27.413 Base-Backbone interact. energy: -0.017 local terms energy: -30.813501 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -61.412472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.412472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.412472 (E_RNA) where: Base-Base interactions energy: -29.233 where: short stacking energy: -26.503 Base-Backbone interact. energy: -0.086 local terms energy: -32.092962 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -5.793 tors. eta vs tors. theta energy: -5.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -53.487097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.487097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.487097 (E_RNA) where: Base-Base interactions energy: -24.315 where: short stacking energy: -24.315 Base-Backbone interact. energy: -0.045 local terms energy: -29.127418 where: bonds (distance) C4'-P energy: -6.126 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -4.190 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: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -56.599850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.599850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.599850 (E_RNA) where: Base-Base interactions energy: -23.758 where: short stacking energy: -23.758 Base-Backbone interact. energy: -0.093 local terms energy: -32.748652 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -4.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -47.379208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.379208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.379208 (E_RNA) where: Base-Base interactions energy: -21.141 where: short stacking energy: -17.100 Base-Backbone interact. energy: -0.076 local terms energy: -26.162721 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -49.581249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.581249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.581249 (E_RNA) where: Base-Base interactions energy: -17.640 where: short stacking energy: -1.695 Base-Backbone interact. energy: -0.740 local terms energy: -31.201534 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -4.494 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: 7, replica: 2 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -45.823410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.823410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.823410 (E_RNA) where: Base-Base interactions energy: -18.478 where: short stacking energy: -18.478 Base-Backbone interact. energy: -0.013 local terms energy: -27.332248 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -5.407 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -0.161 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: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -47.219480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.219480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.219480 (E_RNA) where: Base-Base interactions energy: -16.345 where: short stacking energy: -16.345 Base-Backbone interact. energy: -0.017 local terms energy: -30.858165 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -45.639062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.639062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.639062 (E_RNA) where: Base-Base interactions energy: -18.419 where: short stacking energy: -18.419 Base-Backbone interact. energy: -0.017 local terms energy: -27.203224 where: bonds (distance) C4'-P energy: -1.490 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -1.555 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: 10, replica: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -38.732708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.732708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.732708 (E_RNA) where: Base-Base interactions energy: -14.904 where: short stacking energy: -12.766 Base-Backbone interact. energy: -0.076 local terms energy: -23.752949 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -59.819956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.819956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.819956 (E_RNA) where: Base-Base interactions energy: -27.286 where: short stacking energy: -27.286 Base-Backbone interact. energy: -0.000 local terms energy: -32.533676 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -4.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -67.271222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.271222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.271222 (E_RNA) where: Base-Base interactions energy: -33.619 where: short stacking energy: -33.619 Base-Backbone interact. energy: -0.000 local terms energy: -33.651732 where: bonds (distance) C4'-P energy: -7.312 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -1.626 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: 3, replica: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -66.139473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.139473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.139473 (E_RNA) where: Base-Base interactions energy: -26.864 where: short stacking energy: -26.864 Base-Backbone interact. energy: -0.001 local terms energy: -39.274617 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -9.462 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -7.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -49.425745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.425745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.425745 (E_RNA) where: Base-Base interactions energy: -17.597 where: short stacking energy: -17.597 Base-Backbone interact. energy: -0.118 local terms energy: -31.711318 where: bonds (distance) C4'-P energy: -6.118 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -6.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -56.185967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.185967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.185967 (E_RNA) where: Base-Base interactions energy: -24.661 where: short stacking energy: -19.960 Base-Backbone interact. energy: -0.079 local terms energy: -31.445960 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -6.048 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -43.966092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.966092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.966092 (E_RNA) where: Base-Base interactions energy: -14.357 where: short stacking energy: -14.357 Base-Backbone interact. energy: -0.027 local terms energy: -29.582360 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -50.571389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.571389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.571389 (E_RNA) where: Base-Base interactions energy: -22.383 where: short stacking energy: -22.383 Base-Backbone interact. energy: -0.100 local terms energy: -28.088999 where: bonds (distance) C4'-P energy: -5.952 bonds (distance) P-C4' energy: -4.805 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -4.910 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: 8, replica: 8 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -48.651701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.651701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.651701 (E_RNA) where: Base-Base interactions energy: -19.693 where: short stacking energy: -19.693 Base-Backbone interact. energy: 0.012 local terms energy: -28.970463 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -4.457 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: 9, replica: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -43.446685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.446685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.446685 (E_RNA) where: Base-Base interactions energy: -16.165 where: short stacking energy: -16.165 Base-Backbone interact. energy: -0.009 local terms energy: -27.271962 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.981 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: 10, replica: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -41.686916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.686916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.686916 (E_RNA) where: Base-Base interactions energy: -18.127 where: short stacking energy: -12.440 Base-Backbone interact. energy: -0.043 local terms energy: -23.516128 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -4.724 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: 258 Temperature: 0.900000 Total energy: -71.125014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.125014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.125014 (E_RNA) where: Base-Base interactions energy: -33.057 where: short stacking energy: -33.057 Base-Backbone interact. energy: -0.000 local terms energy: -38.068159 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -10.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -60.980769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.980769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.980769 (E_RNA) where: Base-Base interactions energy: -24.924 where: short stacking energy: -24.924 Base-Backbone interact. energy: -0.003 local terms energy: -36.054113 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -8.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -60.341584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.341584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.341584 (E_RNA) where: Base-Base interactions energy: -22.935 where: short stacking energy: -22.935 Base-Backbone interact. energy: -0.007 local terms energy: -37.399588 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -9.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -57.404198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.404198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.404198 (E_RNA) where: Base-Base interactions energy: -24.558 where: short stacking energy: -24.558 Base-Backbone interact. energy: -0.006 local terms energy: -32.840307 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -1.744 tors. eta vs tors. theta energy: -8.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -50.937467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.937467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.937467 (E_RNA) where: Base-Base interactions energy: -18.813 where: short stacking energy: -18.813 Base-Backbone interact. energy: -0.005 local terms energy: -32.119295 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -59.823896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.823896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.823896 (E_RNA) where: Base-Base interactions energy: -24.762 where: short stacking energy: -23.346 Base-Backbone interact. energy: -0.000 local terms energy: -35.062305 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -5.533 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: 7, replica: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -46.794592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.794592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.794592 (E_RNA) where: Base-Base interactions energy: -19.481 where: short stacking energy: -19.481 Base-Backbone interact. energy: -0.124 local terms energy: -27.189962 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -3.407 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: 8, replica: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -45.316254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.316254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.316254 (E_RNA) where: Base-Base interactions energy: -19.709 where: short stacking energy: -19.709 Base-Backbone interact. energy: -0.168 local terms energy: -25.439463 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -4.271 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -43.739306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.739306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.739306 (E_RNA) where: Base-Base interactions energy: -14.416 where: short stacking energy: -14.416 Base-Backbone interact. energy: 0.511 local terms energy: -29.833800 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -44.676044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.676044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.676044 (E_RNA) where: Base-Base interactions energy: -16.921 where: short stacking energy: -16.921 Base-Backbone interact. energy: -0.000 local terms energy: -27.754278 where: bonds (distance) C4'-P energy: -3.961 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -7.600 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: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -66.550441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.550441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.550441 (E_RNA) where: Base-Base interactions energy: -36.372 where: short stacking energy: -14.099 Base-Backbone interact. energy: -0.021 local terms energy: -30.157114 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -8.686 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -1.174 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: 259 Temperature: 0.950000 Total energy: -61.274137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.274137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.274137 (E_RNA) where: Base-Base interactions energy: -26.180 where: short stacking energy: -26.180 Base-Backbone interact. energy: -0.002 local terms energy: -35.092206 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -6.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -59.564249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.564249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.564249 (E_RNA) where: Base-Base interactions energy: -23.806 where: short stacking energy: -23.806 Base-Backbone interact. energy: -0.025 local terms energy: -35.733415 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -55.201586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.201586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.201586 (E_RNA) where: Base-Base interactions energy: -22.703 where: short stacking energy: -22.206 Base-Backbone interact. energy: -0.405 local terms energy: -32.094050 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -50.144246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.144246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.144246 (E_RNA) where: Base-Base interactions energy: -19.964 where: short stacking energy: -19.964 Base-Backbone interact. energy: 0.523 local terms energy: -30.703224 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -44.408608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.408608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.408608 (E_RNA) where: Base-Base interactions energy: -12.794 where: short stacking energy: -12.794 Base-Backbone interact. energy: -0.031 local terms energy: -31.582965 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -47.105535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.105535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.105535 (E_RNA) where: Base-Base interactions energy: -19.101 where: short stacking energy: -19.101 Base-Backbone interact. energy: -0.005 local terms energy: -27.998829 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -48.800052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.800052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.800052 (E_RNA) where: Base-Base interactions energy: -17.708 where: short stacking energy: -17.708 Base-Backbone interact. energy: -0.003 local terms energy: -31.089150 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -5.208 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: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -43.060767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.060767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.060767 (E_RNA) where: Base-Base interactions energy: -19.084 where: short stacking energy: -18.406 Base-Backbone interact. energy: -0.048 local terms energy: -23.929031 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -6.025 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -36.168727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.168727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.168727 (E_RNA) where: Base-Base interactions energy: -9.707 where: short stacking energy: -9.707 Base-Backbone interact. energy: -0.087 local terms energy: -26.375106 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: 0.409 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: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -71.987574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.987574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.987574 (E_RNA) where: Base-Base interactions energy: -38.019 where: short stacking energy: -23.787 Base-Backbone interact. energy: -1.934 local terms energy: -32.034571 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -5.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -62.819156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.819156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.819156 (E_RNA) where: Base-Base interactions energy: -27.482 where: short stacking energy: -23.475 Base-Backbone interact. energy: -0.025 local terms energy: -35.311882 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -10.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -54.862798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.862798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.862798 (E_RNA) where: Base-Base interactions energy: -25.673 where: short stacking energy: -18.897 Base-Backbone interact. energy: -0.001 local terms energy: -29.188819 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -2.040 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: 4, replica: 3 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -48.547163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.547163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.547163 (E_RNA) where: Base-Base interactions energy: -19.203 where: short stacking energy: -19.203 Base-Backbone interact. energy: -0.011 local terms energy: -29.333640 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -7.990 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -58.100799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.100799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.100799 (E_RNA) where: Base-Base interactions energy: -25.549 where: short stacking energy: -16.732 Base-Backbone interact. energy: -0.029 local terms energy: -32.522649 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -51.948506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.948506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.948506 (E_RNA) where: Base-Base interactions energy: -28.240 where: short stacking energy: -18.010 Base-Backbone interact. energy: -0.067 local terms energy: -23.642188 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -45.747025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.747025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.747025 (E_RNA) where: Base-Base interactions energy: -18.566 where: short stacking energy: -18.566 Base-Backbone interact. energy: -0.005 local terms energy: -27.176216 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -5.705 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: 8, replica: 8 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -52.538705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.538705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.538705 (E_RNA) where: Base-Base interactions energy: -20.730 where: short stacking energy: -20.730 Base-Backbone interact. energy: -0.001 local terms energy: -31.807233 where: bonds (distance) C4'-P energy: -5.568 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.661 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: 9, replica: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -40.027833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.027833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.027833 (E_RNA) where: Base-Base interactions energy: -14.712 where: short stacking energy: -14.712 Base-Backbone interact. energy: 0.141 local terms energy: -25.457580 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -2.421 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -41.951466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.951466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.951466 (E_RNA) where: Base-Base interactions energy: -13.523 where: short stacking energy: -13.523 Base-Backbone interact. energy: -0.849 local terms energy: -27.579301 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -63.770593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.770593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.770593 (E_RNA) where: Base-Base interactions energy: -24.776 where: short stacking energy: -24.776 Base-Backbone interact. energy: -0.000 local terms energy: -38.994167 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -7.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -64.220661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.220661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.220661 (E_RNA) where: Base-Base interactions energy: -33.877 where: short stacking energy: -18.559 Base-Backbone interact. energy: -0.098 local terms energy: -30.245797 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -6.819 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -55.068346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.068346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.068346 (E_RNA) where: Base-Base interactions energy: -24.705 where: short stacking energy: -18.019 Base-Backbone interact. energy: -0.013 local terms energy: -30.350165 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -5.605 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: 4, replica: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -63.032789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.032789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.032789 (E_RNA) where: Base-Base interactions energy: -27.884 where: short stacking energy: -27.884 Base-Backbone interact. energy: -0.000 local terms energy: -35.148878 where: bonds (distance) C4'-P energy: -7.837 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -6.825 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: 3 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -52.158066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.158066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.158066 (E_RNA) where: Base-Base interactions energy: -22.699 where: short stacking energy: -21.842 Base-Backbone interact. energy: -0.509 local terms energy: -28.949805 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -6.210 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: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -56.279467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.279467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.279467 (E_RNA) where: Base-Base interactions energy: -31.572 where: short stacking energy: -19.076 Base-Backbone interact. energy: -0.026 local terms energy: -24.680988 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -2.522 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: 7, replica: 1 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -44.381730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.381730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.381730 (E_RNA) where: Base-Base interactions energy: -19.313 where: short stacking energy: -19.313 Base-Backbone interact. energy: -0.038 local terms energy: -25.030717 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -2.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -44.964667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.964667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.964667 (E_RNA) where: Base-Base interactions energy: -12.672 where: short stacking energy: -12.672 Base-Backbone interact. energy: -0.003 local terms energy: -32.289304 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -50.264902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.264902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.264902 (E_RNA) where: Base-Base interactions energy: -19.322 where: short stacking energy: -19.322 Base-Backbone interact. energy: -0.000 local terms energy: -30.942928 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -5.883 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -6.400 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: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -40.868595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.868595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.868595 (E_RNA) where: Base-Base interactions energy: -9.935 where: short stacking energy: -9.935 Base-Backbone interact. energy: -0.013 local terms energy: -30.921162 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -2.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -69.589885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.589885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.589885 (E_RNA) where: Base-Base interactions energy: -29.791 where: short stacking energy: -29.791 Base-Backbone interact. energy: -0.000 local terms energy: -39.798619 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -9.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -57.185069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.185069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.185069 (E_RNA) where: Base-Base interactions energy: -21.799 where: short stacking energy: -21.799 Base-Backbone interact. energy: -0.000 local terms energy: -35.385997 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -9.159 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: -6.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -59.734463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.734463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.734463 (E_RNA) where: Base-Base interactions energy: -24.365 where: short stacking energy: -20.444 Base-Backbone interact. energy: -0.013 local terms energy: -35.357024 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -4.664 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: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -55.804152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.804152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.804152 (E_RNA) where: Base-Base interactions energy: -19.921 where: short stacking energy: -19.921 Base-Backbone interact. energy: -0.002 local terms energy: -35.880618 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -4.850 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: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -52.104623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.104623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.104623 (E_RNA) where: Base-Base interactions energy: -27.547 where: short stacking energy: -17.139 Base-Backbone interact. energy: 0.265 local terms energy: -24.823356 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -48.564656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.564656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.564656 (E_RNA) where: Base-Base interactions energy: -23.021 where: short stacking energy: -8.811 Base-Backbone interact. energy: -0.211 local terms energy: -25.332870 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: 1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -54.779530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.779530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.779530 (E_RNA) where: Base-Base interactions energy: -24.825 where: short stacking energy: -24.825 Base-Backbone interact. energy: -0.038 local terms energy: -29.916340 where: bonds (distance) C4'-P energy: -4.520 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -44.760032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.760032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.760032 (E_RNA) where: Base-Base interactions energy: -21.411 where: short stacking energy: -19.253 Base-Backbone interact. energy: -0.002 local terms energy: -23.346637 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -0.385 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -51.735146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.735146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.735146 (E_RNA) where: Base-Base interactions energy: -23.059 where: short stacking energy: -23.059 Base-Backbone interact. energy: -0.001 local terms energy: -28.675494 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -49.988310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.988310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.988310 (E_RNA) where: Base-Base interactions energy: -25.683 where: short stacking energy: -11.131 Base-Backbone interact. energy: -0.180 local terms energy: -24.124927 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -4.858 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -59.291240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.291240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.291240 (E_RNA) where: Base-Base interactions energy: -22.783 where: short stacking energy: -22.783 Base-Backbone interact. energy: -0.176 local terms energy: -36.332283 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -6.728 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: 2, replica: 9 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -58.070993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.070993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.070993 (E_RNA) where: Base-Base interactions energy: -27.179 where: short stacking energy: -23.760 Base-Backbone interact. energy: 1.552 local terms energy: -32.444359 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -50.006842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.006842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.006842 (E_RNA) where: Base-Base interactions energy: -20.093 where: short stacking energy: -14.297 Base-Backbone interact. energy: -0.010 local terms energy: -29.903992 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -66.548951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.548951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.548951 (E_RNA) where: Base-Base interactions energy: -30.226 where: short stacking energy: -28.424 Base-Backbone interact. energy: -0.001 local terms energy: -36.322312 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -5.743 tors. eta vs tors. theta energy: -8.173 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: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -58.981669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.981669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.981669 (E_RNA) where: Base-Base interactions energy: -26.078 where: short stacking energy: -26.078 Base-Backbone interact. energy: -0.000 local terms energy: -32.903137 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -7.311 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -54.314025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.314025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.314025 (E_RNA) where: Base-Base interactions energy: -22.724 where: short stacking energy: -21.714 Base-Backbone interact. energy: -0.025 local terms energy: -31.564382 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -4.589 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: 7, replica: 3 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -50.447298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.447298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.447298 (E_RNA) where: Base-Base interactions energy: -22.859 where: short stacking energy: -22.859 Base-Backbone interact. energy: -0.030 local terms energy: -27.558176 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -2.536 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -44.060142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.060142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.060142 (E_RNA) where: Base-Base interactions energy: -17.922 where: short stacking energy: -17.101 Base-Backbone interact. energy: -0.002 local terms energy: -26.136130 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -4.436 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -3.366 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: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -45.656613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.656613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.656613 (E_RNA) where: Base-Base interactions energy: -14.390 where: short stacking energy: -14.390 Base-Backbone interact. energy: -0.029 local terms energy: -31.237801 where: bonds (distance) C4'-P energy: -5.886 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -42.866749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.866749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.866749 (E_RNA) where: Base-Base interactions energy: -16.237 where: short stacking energy: -15.386 Base-Backbone interact. energy: -0.009 local terms energy: -26.620403 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -65.084861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.084861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.084861 (E_RNA) where: Base-Base interactions energy: -26.675 where: short stacking energy: -26.675 Base-Backbone interact. energy: -0.000 local terms energy: -38.409892 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -8.181 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -9.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -72.476937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.476937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.476937 (E_RNA) where: Base-Base interactions energy: -35.613 where: short stacking energy: -34.919 Base-Backbone interact. energy: -0.000 local terms energy: -36.863976 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -6.568 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: 4 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -57.821852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.821852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.821852 (E_RNA) where: Base-Base interactions energy: -24.206 where: short stacking energy: -24.206 Base-Backbone interact. energy: -0.000 local terms energy: -33.615348 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -59.282825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.282825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.282825 (E_RNA) where: Base-Base interactions energy: -25.177 where: short stacking energy: -12.214 Base-Backbone interact. energy: -0.016 local terms energy: -34.089958 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -51.480833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.480833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.480833 (E_RNA) where: Base-Base interactions energy: -19.871 where: short stacking energy: -19.871 Base-Backbone interact. energy: -0.000 local terms energy: -31.609871 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -5.675 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: 6, replica: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -52.009824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.009824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.009824 (E_RNA) where: Base-Base interactions energy: -20.142 where: short stacking energy: -20.142 Base-Backbone interact. energy: -0.054 local terms energy: -31.813825 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -2.610 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: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -45.232009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.232009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.232009 (E_RNA) where: Base-Base interactions energy: -18.225 where: short stacking energy: -18.099 Base-Backbone interact. energy: -0.027 local terms energy: -26.980305 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -47.665509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.665509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.665509 (E_RNA) where: Base-Base interactions energy: -19.295 where: short stacking energy: -19.295 Base-Backbone interact. energy: -0.111 local terms energy: -28.258668 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -43.169987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.169987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.169987 (E_RNA) where: Base-Base interactions energy: -12.421 where: short stacking energy: -12.421 Base-Backbone interact. energy: -0.147 local terms energy: -30.601912 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -41.765233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.765233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.765233 (E_RNA) where: Base-Base interactions energy: -17.331 where: short stacking energy: -15.496 Base-Backbone interact. energy: -0.148 local terms energy: -24.286292 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -64.460672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.460672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.460672 (E_RNA) where: Base-Base interactions energy: -30.562 where: short stacking energy: -30.562 Base-Backbone interact. energy: -0.000 local terms energy: -33.898991 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -8.865 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: 4 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -61.140991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.140991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.140991 (E_RNA) where: Base-Base interactions energy: -26.888 where: short stacking energy: -26.888 Base-Backbone interact. energy: -0.000 local terms energy: -34.252440 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -6.478 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: 10 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -71.117355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.117355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.117355 (E_RNA) where: Base-Base interactions energy: -36.072 where: short stacking energy: -32.467 Base-Backbone interact. energy: -0.001 local terms energy: -35.044479 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -6.342 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -9.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -58.884644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.884644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.884644 (E_RNA) where: Base-Base interactions energy: -21.858 where: short stacking energy: -21.858 Base-Backbone interact. energy: -0.000 local terms energy: -37.026849 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -5.790 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: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -47.349602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.349602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.349602 (E_RNA) where: Base-Base interactions energy: -15.179 where: short stacking energy: -15.179 Base-Backbone interact. energy: -0.054 local terms energy: -32.116088 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -49.294569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.294569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.294569 (E_RNA) where: Base-Base interactions energy: -15.510 where: short stacking energy: -15.510 Base-Backbone interact. energy: -0.000 local terms energy: -33.784461 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -5.851 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: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -45.288454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.288454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.288454 (E_RNA) where: Base-Base interactions energy: -20.336 where: short stacking energy: -8.809 Base-Backbone interact. energy: -0.260 local terms energy: -24.692914 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -1.502 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: 265 Temperature: 1.250000 Total energy: -43.403935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.403935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.403935 (E_RNA) where: Base-Base interactions energy: -15.517 where: short stacking energy: -15.517 Base-Backbone interact. energy: -0.105 local terms energy: -27.781569 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -39.818732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.818732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.818732 (E_RNA) where: Base-Base interactions energy: -12.369 where: short stacking energy: -8.625 Base-Backbone interact. energy: 0.053 local terms energy: -27.501844 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -0.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -41.482226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.482226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.482226 (E_RNA) where: Base-Base interactions energy: -16.271 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.135 local terms energy: -25.076137 where: bonds (distance) C4'-P energy: -2.260 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -69.145666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.145666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.145666 (E_RNA) where: Base-Base interactions energy: -27.893 where: short stacking energy: -27.893 Base-Backbone interact. energy: -0.002 local terms energy: -41.250601 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -9.952 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: 9 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -60.748071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.748071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.748071 (E_RNA) where: Base-Base interactions energy: -26.889 where: short stacking energy: -25.740 Base-Backbone interact. energy: -0.080 local terms energy: -33.778779 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -6.823 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: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -60.251740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.251740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.251740 (E_RNA) where: Base-Base interactions energy: -31.049 where: short stacking energy: -15.902 Base-Backbone interact. energy: -0.024 local terms energy: -29.179135 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -51.129367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.129367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.129367 (E_RNA) where: Base-Base interactions energy: -21.156 where: short stacking energy: -21.156 Base-Backbone interact. energy: -0.073 local terms energy: -29.899898 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -3.538 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: 5, replica: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -55.218198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.218198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.218198 (E_RNA) where: Base-Base interactions energy: -23.524 where: short stacking energy: -16.730 Base-Backbone interact. energy: 0.751 local terms energy: -32.444747 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -49.415635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.415635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.415635 (E_RNA) where: Base-Base interactions energy: -17.150 where: short stacking energy: -14.240 Base-Backbone interact. energy: -0.011 local terms energy: -32.255529 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -4.478 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: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -54.946359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.946359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.946359 (E_RNA) where: Base-Base interactions energy: -24.003 where: short stacking energy: -23.554 Base-Backbone interact. energy: -0.646 local terms energy: -30.296896 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -3.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -50.524046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.524046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.524046 (E_RNA) where: Base-Base interactions energy: -19.501 where: short stacking energy: -19.501 Base-Backbone interact. energy: -0.000 local terms energy: -31.023022 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.192 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -4.731 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: 9, replica: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -44.380695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.380695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.380695 (E_RNA) where: Base-Base interactions energy: -14.142 where: short stacking energy: -11.133 Base-Backbone interact. energy: -0.006 local terms energy: -30.233153 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -43.815442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.815442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.815442 (E_RNA) where: Base-Base interactions energy: -22.906 where: short stacking energy: -15.192 Base-Backbone interact. energy: -0.180 local terms energy: -20.729321 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -4.594 flat angles C4'-P-C4' energy: -3.651 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -62.159217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.159217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.159217 (E_RNA) where: Base-Base interactions energy: -26.219 where: short stacking energy: -26.219 Base-Backbone interact. energy: -0.168 local terms energy: -35.772573 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.830 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -64.138703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.138703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.138703 (E_RNA) where: Base-Base interactions energy: -32.249 where: short stacking energy: -30.530 Base-Backbone interact. energy: -0.003 local terms energy: -31.887042 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -5.537 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: 3, replica: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -63.107750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.107750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.107750 (E_RNA) where: Base-Base interactions energy: -24.797 where: short stacking energy: -24.797 Base-Backbone interact. energy: -0.000 local terms energy: -38.310275 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -8.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -58.626445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.626445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.626445 (E_RNA) where: Base-Base interactions energy: -22.529 where: short stacking energy: -22.529 Base-Backbone interact. energy: -0.002 local terms energy: -36.095118 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.485 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -54.528197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.528197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.528197 (E_RNA) where: Base-Base interactions energy: -21.449 where: short stacking energy: -21.449 Base-Backbone interact. energy: -0.000 local terms energy: -33.079414 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -7.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -55.549720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.549720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.549720 (E_RNA) where: Base-Base interactions energy: -23.292 where: short stacking energy: -23.292 Base-Backbone interact. energy: -0.001 local terms energy: -32.256376 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -47.946153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.946153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.946153 (E_RNA) where: Base-Base interactions energy: -20.207 where: short stacking energy: -18.283 Base-Backbone interact. energy: -0.000 local terms energy: -27.739515 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: 0.060 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: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -43.388056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.388056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.388056 (E_RNA) where: Base-Base interactions energy: -13.388 where: short stacking energy: -13.388 Base-Backbone interact. energy: -0.109 local terms energy: -29.890860 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -46.812649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.812649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.812649 (E_RNA) where: Base-Base interactions energy: -15.571 where: short stacking energy: -15.571 Base-Backbone interact. energy: -0.001 local terms energy: -31.240875 where: bonds (distance) C4'-P energy: -5.262 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -35.323069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.323069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.323069 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.087 Base-Backbone interact. energy: -0.037 local terms energy: -27.199233 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -6.935 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: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -78.060256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.060256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.060256 (E_RNA) where: Base-Base interactions energy: -42.679 where: short stacking energy: -25.007 Base-Backbone interact. energy: -0.575 local terms energy: -34.805966 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -6.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -58.263746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.263746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.263746 (E_RNA) where: Base-Base interactions energy: -28.220 where: short stacking energy: -23.567 Base-Backbone interact. energy: -0.004 local terms energy: -30.039842 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -3.778 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: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -54.326136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.326136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.326136 (E_RNA) where: Base-Base interactions energy: -20.206 where: short stacking energy: -20.206 Base-Backbone interact. energy: -0.017 local terms energy: -34.102871 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -5.212 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: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -51.146200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.146200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.146200 (E_RNA) where: Base-Base interactions energy: -21.998 where: short stacking energy: -14.184 Base-Backbone interact. energy: -0.021 local terms energy: -29.126815 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.205 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -58.479455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.479455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.479455 (E_RNA) where: Base-Base interactions energy: -25.420 where: short stacking energy: -25.420 Base-Backbone interact. energy: -0.000 local terms energy: -33.059454 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -4.833 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -5.114 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: 6, replica: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -57.367083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.367083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.367083 (E_RNA) where: Base-Base interactions energy: -35.740 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.066 local terms energy: -21.560206 where: bonds (distance) C4'-P energy: -3.904 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -42.737782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.737782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.737782 (E_RNA) where: Base-Base interactions energy: -19.890 where: short stacking energy: -9.895 Base-Backbone interact. energy: -0.069 local terms energy: -22.779312 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -2.907 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: 1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -52.607632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.607632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.607632 (E_RNA) where: Base-Base interactions energy: -25.626 where: short stacking energy: -19.928 Base-Backbone interact. energy: -0.521 local terms energy: -26.461505 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -3.671 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: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -45.765849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.765849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.765849 (E_RNA) where: Base-Base interactions energy: -20.068 where: short stacking energy: -15.869 Base-Backbone interact. energy: -0.004 local terms energy: -25.692955 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -3.370 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -44.237100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.237100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.237100 (E_RNA) where: Base-Base interactions energy: -15.075 where: short stacking energy: -12.110 Base-Backbone interact. energy: -0.099 local terms energy: -29.063513 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -80.229149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.229149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.229149 (E_RNA) where: Base-Base interactions energy: -42.862 where: short stacking energy: -29.724 Base-Backbone interact. energy: -0.050 local terms energy: -37.317319 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -6.323 tors. eta vs tors. theta energy: -10.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -61.502743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.502743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.502743 (E_RNA) where: Base-Base interactions energy: -26.240 where: short stacking energy: -26.240 Base-Backbone interact. energy: -0.000 local terms energy: -35.262765 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -8.685 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -50.962250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.962250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.962250 (E_RNA) where: Base-Base interactions energy: -22.486 where: short stacking energy: -19.643 Base-Backbone interact. energy: -0.256 local terms energy: -28.220143 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.852 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: 4, replica: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -59.927721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.927721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.927721 (E_RNA) where: Base-Base interactions energy: -30.388 where: short stacking energy: -22.681 Base-Backbone interact. energy: -0.011 local terms energy: -29.527943 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -48.437447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.437447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.437447 (E_RNA) where: Base-Base interactions energy: -18.896 where: short stacking energy: -18.896 Base-Backbone interact. energy: -0.005 local terms energy: -29.536534 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -49.733241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.733241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.733241 (E_RNA) where: Base-Base interactions energy: -20.048 where: short stacking energy: -20.048 Base-Backbone interact. energy: -0.100 local terms energy: -29.585569 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -2.328 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: 7, replica: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -54.559638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.559638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.559638 (E_RNA) where: Base-Base interactions energy: -20.214 where: short stacking energy: -20.214 Base-Backbone interact. energy: -0.092 local terms energy: -34.253800 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -6.332 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: 8, replica: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -47.216307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.216307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.216307 (E_RNA) where: Base-Base interactions energy: -18.463 where: short stacking energy: -18.010 Base-Backbone interact. energy: -0.011 local terms energy: -28.742861 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -3.136 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: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -43.164701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.164701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.164701 (E_RNA) where: Base-Base interactions energy: -14.494 where: short stacking energy: -14.170 Base-Backbone interact. energy: -0.032 local terms energy: -28.638447 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -42.003947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.003947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.003947 (E_RNA) where: Base-Base interactions energy: -12.967 where: short stacking energy: -10.754 Base-Backbone interact. energy: -0.074 local terms energy: -28.962983 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: 0.327 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: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -72.762336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.762336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.762336 (E_RNA) where: Base-Base interactions energy: -37.842 where: short stacking energy: -20.611 Base-Backbone interact. energy: -0.005 local terms energy: -34.915067 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -55.239800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.239800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.239800 (E_RNA) where: Base-Base interactions energy: -18.869 where: short stacking energy: -17.785 Base-Backbone interact. energy: -0.000 local terms energy: -36.370322 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -6.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -52.508853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.508853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.508853 (E_RNA) where: Base-Base interactions energy: -21.102 where: short stacking energy: -19.038 Base-Backbone interact. energy: -0.214 local terms energy: -31.193103 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -4.742 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: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -67.755891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.755891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.755891 (E_RNA) where: Base-Base interactions energy: -27.969 where: short stacking energy: -27.969 Base-Backbone interact. energy: -0.041 local terms energy: -39.746586 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -9.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -60.124550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.124550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.124550 (E_RNA) where: Base-Base interactions energy: -33.525 where: short stacking energy: -29.488 Base-Backbone interact. energy: -0.012 local terms energy: -26.587795 where: bonds (distance) C4'-P energy: -3.758 bonds (distance) P-C4' energy: -4.324 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -4.478 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: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -51.936563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.936563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.936563 (E_RNA) where: Base-Base interactions energy: -23.147 where: short stacking energy: -23.147 Base-Backbone interact. energy: -0.030 local terms energy: -28.759167 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -1.375 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -47.377835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.377835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.377835 (E_RNA) where: Base-Base interactions energy: -18.759 where: short stacking energy: -18.306 Base-Backbone interact. energy: -0.000 local terms energy: -28.618551 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -2.748 flat angles P-C4'-P energy: -6.641 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: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -41.713939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.713939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.713939 (E_RNA) where: Base-Base interactions energy: -17.126 where: short stacking energy: -17.126 Base-Backbone interact. energy: 0.082 local terms energy: -24.670046 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.870 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: 9, replica: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -41.523585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.523585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.523585 (E_RNA) where: Base-Base interactions energy: -15.074 where: short stacking energy: -15.074 Base-Backbone interact. energy: -0.074 local terms energy: -26.375747 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -5.921 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -1.099 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -40.357881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.357881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.357881 (E_RNA) where: Base-Base interactions energy: -12.574 where: short stacking energy: -12.574 Base-Backbone interact. energy: -0.015 local terms energy: -27.769482 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -0.555 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: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -64.442287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.442287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.442287 (E_RNA) where: Base-Base interactions energy: -26.853 where: short stacking energy: -26.126 Base-Backbone interact. energy: -0.025 local terms energy: -37.564463 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -6.607 tors. eta vs tors. theta energy: -6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -57.378224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.378224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.378224 (E_RNA) where: Base-Base interactions energy: -20.912 where: short stacking energy: -20.912 Base-Backbone interact. energy: -0.013 local terms energy: -36.453229 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -6.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -56.442730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.442730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.442730 (E_RNA) where: Base-Base interactions energy: -23.856 where: short stacking energy: -21.208 Base-Backbone interact. energy: -0.006 local terms energy: -32.581192 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -8.189 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -49.817822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.817822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.817822 (E_RNA) where: Base-Base interactions energy: -21.080 where: short stacking energy: -16.716 Base-Backbone interact. energy: -0.050 local terms energy: -28.687539 where: bonds (distance) C4'-P energy: -4.267 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -4.617 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: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -52.634522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.634522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.634522 (E_RNA) where: Base-Base interactions energy: -24.348 where: short stacking energy: -24.348 Base-Backbone interact. energy: -0.001 local terms energy: -28.285541 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -1.844 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: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -45.025396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.025396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.025396 (E_RNA) where: Base-Base interactions energy: -16.793 where: short stacking energy: -16.518 Base-Backbone interact. energy: -0.049 local terms energy: -28.182853 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -49.140873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.140873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.140873 (E_RNA) where: Base-Base interactions energy: -21.827 where: short stacking energy: -21.827 Base-Backbone interact. energy: -0.010 local terms energy: -27.303756 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -4.303 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: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -47.874025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.874025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.874025 (E_RNA) where: Base-Base interactions energy: -19.081 where: short stacking energy: -19.081 Base-Backbone interact. energy: -0.022 local terms energy: -28.770998 where: bonds (distance) C4'-P energy: -5.684 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -3.912 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: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -46.704480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.704480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.704480 (E_RNA) where: Base-Base interactions energy: -18.675 where: short stacking energy: -18.675 Base-Backbone interact. energy: -0.068 local terms energy: -27.961063 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.370 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: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -45.388434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.388434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.388434 (E_RNA) where: Base-Base interactions energy: -18.041 where: short stacking energy: -18.041 Base-Backbone interact. energy: -0.007 local terms energy: -27.339932 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -5.172 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: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -63.433234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.433234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.433234 (E_RNA) where: Base-Base interactions energy: -28.596 where: short stacking energy: -28.596 Base-Backbone interact. energy: -0.000 local terms energy: -34.837377 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -4.747 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: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -61.857398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.857398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.857398 (E_RNA) where: Base-Base interactions energy: -25.289 where: short stacking energy: -25.289 Base-Backbone interact. energy: -0.034 local terms energy: -36.534191 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -8.453 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: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -68.697211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.697211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.697211 (E_RNA) where: Base-Base interactions energy: -36.328 where: short stacking energy: -29.013 Base-Backbone interact. energy: -0.000 local terms energy: -32.368823 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -9.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -52.353803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.353803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.353803 (E_RNA) where: Base-Base interactions energy: -20.483 where: short stacking energy: -15.613 Base-Backbone interact. energy: -0.672 local terms energy: -31.198375 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -6.586 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: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -55.283248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.283248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.283248 (E_RNA) where: Base-Base interactions energy: -23.957 where: short stacking energy: -23.957 Base-Backbone interact. energy: -0.000 local terms energy: -31.326423 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -49.245719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.245719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.245719 (E_RNA) where: Base-Base interactions energy: -19.229 where: short stacking energy: -11.500 Base-Backbone interact. energy: -0.003 local terms energy: -30.014366 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -5.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -45.034422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.034422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.034422 (E_RNA) where: Base-Base interactions energy: -16.213 where: short stacking energy: -16.213 Base-Backbone interact. energy: -0.042 local terms energy: -28.779728 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -2.058 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -47.670631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.670631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.670631 (E_RNA) where: Base-Base interactions energy: -15.608 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.002 local terms energy: -32.060571 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -54.868052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.868052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.868052 (E_RNA) where: Base-Base interactions energy: -24.970 where: short stacking energy: -24.970 Base-Backbone interact. energy: -0.002 local terms energy: -29.896433 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -4.393 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: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -50.890545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.890545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.890545 (E_RNA) where: Base-Base interactions energy: -22.174 where: short stacking energy: -22.174 Base-Backbone interact. energy: -0.001 local terms energy: -28.716307 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -3.787 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: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -61.319729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.319729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.319729 (E_RNA) where: Base-Base interactions energy: -23.932 where: short stacking energy: -23.932 Base-Backbone interact. energy: -0.000 local terms energy: -37.388125 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -9.256 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -5.414 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: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -60.604816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.604816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.604816 (E_RNA) where: Base-Base interactions energy: -29.213 where: short stacking energy: -25.105 Base-Backbone interact. energy: -0.709 local terms energy: -30.683005 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -4.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -73.126258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.126258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.126258 (E_RNA) where: Base-Base interactions energy: -41.289 where: short stacking energy: -17.088 Base-Backbone interact. energy: -0.140 local terms energy: -31.697812 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -55.606635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.606635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.606635 (E_RNA) where: Base-Base interactions energy: -27.616 where: short stacking energy: -14.738 Base-Backbone interact. energy: -0.013 local terms energy: -27.977035 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -4.191 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: 5, replica: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -53.498534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.498534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.498534 (E_RNA) where: Base-Base interactions energy: -22.123 where: short stacking energy: -22.123 Base-Backbone interact. energy: -0.044 local terms energy: -31.332381 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.069 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -4.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -51.740744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.740744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.740744 (E_RNA) where: Base-Base interactions energy: -18.753 where: short stacking energy: -14.554 Base-Backbone interact. energy: -0.105 local terms energy: -32.883081 where: bonds (distance) C4'-P energy: -5.370 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -4.645 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: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -49.100250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.100250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.100250 (E_RNA) where: Base-Base interactions energy: -16.683 where: short stacking energy: -16.683 Base-Backbone interact. energy: -0.022 local terms energy: -32.395357 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -54.653434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.653434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.653434 (E_RNA) where: Base-Base interactions energy: -25.582 where: short stacking energy: -23.653 Base-Backbone interact. energy: -0.000 local terms energy: -29.071236 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -1.559 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -40.350225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.350225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.350225 (E_RNA) where: Base-Base interactions energy: -13.234 where: short stacking energy: -13.234 Base-Backbone interact. energy: -0.026 local terms energy: -27.089641 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -41.705613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.705613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.705613 (E_RNA) where: Base-Base interactions energy: -10.934 where: short stacking energy: -10.934 Base-Backbone interact. energy: -0.083 local terms energy: -30.689129 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -1.862 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: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -66.341210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.341210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.341210 (E_RNA) where: Base-Base interactions energy: -27.776 where: short stacking energy: -27.776 Base-Backbone interact. energy: -0.000 local terms energy: -38.565071 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.649 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -8.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -56.679536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.679536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.679536 (E_RNA) where: Base-Base interactions energy: -25.435 where: short stacking energy: -20.408 Base-Backbone interact. energy: -0.013 local terms energy: -31.231334 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -5.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -54.424768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.424768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.424768 (E_RNA) where: Base-Base interactions energy: -23.228 where: short stacking energy: -15.606 Base-Backbone interact. energy: -0.183 local terms energy: -31.013649 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -57.519372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.519372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.519372 (E_RNA) where: Base-Base interactions energy: -23.465 where: short stacking energy: -23.465 Base-Backbone interact. energy: -0.000 local terms energy: -34.054066 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.486 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -48.428543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.428543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.428543 (E_RNA) where: Base-Base interactions energy: -18.446 where: short stacking energy: -17.301 Base-Backbone interact. energy: -0.000 local terms energy: -29.982775 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -3.636 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: 6, replica: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -57.039628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.039628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.039628 (E_RNA) where: Base-Base interactions energy: -23.724 where: short stacking energy: -23.724 Base-Backbone interact. energy: -0.003 local terms energy: -33.312394 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.743 flat angles C4'-P-C4' energy: -9.221 flat angles P-C4'-P energy: -3.864 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -43.016726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.016726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.016726 (E_RNA) where: Base-Base interactions energy: -19.900 where: short stacking energy: -16.474 Base-Backbone interact. energy: -0.088 local terms energy: -23.028393 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -3.852 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -45.542601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.542601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.542601 (E_RNA) where: Base-Base interactions energy: -20.434 where: short stacking energy: -14.814 Base-Backbone interact. energy: -0.005 local terms energy: -25.103953 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -5.943 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -1.656 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: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -42.061698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.061698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.061698 (E_RNA) where: Base-Base interactions energy: -13.493 where: short stacking energy: -11.953 Base-Backbone interact. energy: -0.459 local terms energy: -28.109766 where: bonds (distance) C4'-P energy: -7.456 bonds (distance) P-C4' energy: -5.797 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -56.408475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.408475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.408475 (E_RNA) where: Base-Base interactions energy: -22.359 where: short stacking energy: -22.359 Base-Backbone interact. energy: -0.000 local terms energy: -34.049862 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -8.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -63.491406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.491406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.491406 (E_RNA) where: Base-Base interactions energy: -27.076 where: short stacking energy: -27.076 Base-Backbone interact. energy: -0.001 local terms energy: -36.414518 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -4.126 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: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -60.147210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.147210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.147210 (E_RNA) where: Base-Base interactions energy: -24.714 where: short stacking energy: -24.714 Base-Backbone interact. energy: -0.005 local terms energy: -35.427581 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -3.556 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: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -51.084012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.084012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.084012 (E_RNA) where: Base-Base interactions energy: -25.496 where: short stacking energy: -15.785 Base-Backbone interact. energy: -0.076 local terms energy: -25.511656 where: bonds (distance) C4'-P energy: -5.771 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: 0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -53.997990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.997990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.997990 (E_RNA) where: Base-Base interactions energy: -20.724 where: short stacking energy: -20.724 Base-Backbone interact. energy: -0.000 local terms energy: -33.273496 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -4.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -46.812874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.812874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.812874 (E_RNA) where: Base-Base interactions energy: -21.231 where: short stacking energy: -21.231 Base-Backbone interact. energy: -0.001 local terms energy: -25.580794 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -47.141668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.141668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.141668 (E_RNA) where: Base-Base interactions energy: -18.012 where: short stacking energy: -18.012 Base-Backbone interact. energy: -0.006 local terms energy: -29.124160 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -4.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -49.168016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.168016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.168016 (E_RNA) where: Base-Base interactions energy: -28.634 where: short stacking energy: -18.773 Base-Backbone interact. energy: -0.022 local terms energy: -20.512617 where: bonds (distance) C4'-P energy: -6.803 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: 0.849 tors. eta vs tors. theta energy: 0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -51.913370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.913370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.913370 (E_RNA) where: Base-Base interactions energy: -18.730 where: short stacking energy: -18.730 Base-Backbone interact. energy: -0.000 local terms energy: -33.183818 where: bonds (distance) C4'-P energy: -5.539 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -8.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -44.373648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.373648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.373648 (E_RNA) where: Base-Base interactions energy: -17.996 where: short stacking energy: -9.363 Base-Backbone interact. energy: -0.919 local terms energy: -25.458448 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -2.534 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: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -44.904607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.904607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.904607 (E_RNA) where: Base-Base interactions energy: -18.891 where: short stacking energy: -18.891 Base-Backbone interact. energy: -0.054 local terms energy: -25.958917 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -5.420 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: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -64.449927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.449927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.449927 (E_RNA) where: Base-Base interactions energy: -31.162 where: short stacking energy: -18.203 Base-Backbone interact. energy: -0.062 local terms energy: -33.225870 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -8.620 flat angles P-C4'-P energy: -4.474 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: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -68.549104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.549104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.549104 (E_RNA) where: Base-Base interactions energy: -29.470 where: short stacking energy: -29.470 Base-Backbone interact. energy: -0.000 local terms energy: -39.079331 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -8.948 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: 3, replica: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -63.043214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.043214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.043214 (E_RNA) where: Base-Base interactions energy: -24.780 where: short stacking energy: -24.780 Base-Backbone interact. energy: -0.021 local terms energy: -38.242232 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -8.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -48.173817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.173817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.173817 (E_RNA) where: Base-Base interactions energy: -15.509 where: short stacking energy: -15.509 Base-Backbone interact. energy: -0.014 local terms energy: -32.651443 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -52.636249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.636249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.636249 (E_RNA) where: Base-Base interactions energy: -21.730 where: short stacking energy: -17.629 Base-Backbone interact. energy: -0.019 local terms energy: -30.886870 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -1.172 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: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -49.461279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.461279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.461279 (E_RNA) where: Base-Base interactions energy: -18.660 where: short stacking energy: -18.660 Base-Backbone interact. energy: -0.055 local terms energy: -30.745927 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -46.486897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.486897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.486897 (E_RNA) where: Base-Base interactions energy: -14.555 where: short stacking energy: -14.555 Base-Backbone interact. energy: -0.001 local terms energy: -31.930241 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -5.794 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: 8, replica: 8 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -47.714228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.714228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.714228 (E_RNA) where: Base-Base interactions energy: -13.234 where: short stacking energy: -13.234 Base-Backbone interact. energy: 0.148 local terms energy: -34.627782 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -5.318 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: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -43.858851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.858851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.858851 (E_RNA) where: Base-Base interactions energy: -15.339 where: short stacking energy: -13.448 Base-Backbone interact. energy: -0.004 local terms energy: -28.516228 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -5.692 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: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -46.525216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.525216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.525216 (E_RNA) where: Base-Base interactions energy: -22.394 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.129 local terms energy: -24.001641 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -4.294 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: 1, replica: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -53.897352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.897352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.897352 (E_RNA) where: Base-Base interactions energy: -23.541 where: short stacking energy: -23.541 Base-Backbone interact. energy: -0.003 local terms energy: -30.352918 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -61.117985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.117985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.117985 (E_RNA) where: Base-Base interactions energy: -24.195 where: short stacking energy: -24.195 Base-Backbone interact. energy: -0.000 local terms energy: -36.923059 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -7.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -56.000591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.000591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.000591 (E_RNA) where: Base-Base interactions energy: -23.252 where: short stacking energy: -21.944 Base-Backbone interact. energy: -0.837 local terms energy: -31.910955 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -51.051893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.051893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.051893 (E_RNA) where: Base-Base interactions energy: -20.798 where: short stacking energy: -19.930 Base-Backbone interact. energy: -0.010 local terms energy: -30.243523 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -51.381075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.381075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.381075 (E_RNA) where: Base-Base interactions energy: -19.248 where: short stacking energy: -19.248 Base-Backbone interact. energy: -0.139 local terms energy: -31.994334 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -48.902303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.902303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.902303 (E_RNA) where: Base-Base interactions energy: -18.102 where: short stacking energy: -17.480 Base-Backbone interact. energy: -0.193 local terms energy: -30.607014 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -47.905329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.905329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.905329 (E_RNA) where: Base-Base interactions energy: -19.464 where: short stacking energy: -19.464 Base-Backbone interact. energy: -0.232 local terms energy: -28.209420 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.910 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: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -47.965563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.965563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.965563 (E_RNA) where: Base-Base interactions energy: -16.815 where: short stacking energy: -16.815 Base-Backbone interact. energy: -0.000 local terms energy: -31.150677 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -40.439449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.439449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.439449 (E_RNA) where: Base-Base interactions energy: -12.289 where: short stacking energy: -12.289 Base-Backbone interact. energy: -0.059 local terms energy: -28.091476 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -39.725145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.725145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.725145 (E_RNA) where: Base-Base interactions energy: -17.180 where: short stacking energy: -16.947 Base-Backbone interact. energy: -0.093 local terms energy: -22.451257 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -69.002818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.002818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.002818 (E_RNA) where: Base-Base interactions energy: -31.607 where: short stacking energy: -31.607 Base-Backbone interact. energy: -0.041 local terms energy: -37.355147 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -8.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -58.433811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.433811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.433811 (E_RNA) where: Base-Base interactions energy: -24.058 where: short stacking energy: -24.058 Base-Backbone interact. energy: -0.000 local terms energy: -34.376232 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -6.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -56.052212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.052212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.052212 (E_RNA) where: Base-Base interactions energy: -18.945 where: short stacking energy: -18.945 Base-Backbone interact. energy: -0.000 local terms energy: -37.106855 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -6.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -61.987114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.987114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.987114 (E_RNA) where: Base-Base interactions energy: -26.948 where: short stacking energy: -26.948 Base-Backbone interact. energy: -0.000 local terms energy: -35.039486 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -8.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -49.804577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.804577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.804577 (E_RNA) where: Base-Base interactions energy: -14.172 where: short stacking energy: -14.172 Base-Backbone interact. energy: -0.033 local terms energy: -35.599750 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -5.750 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: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -49.190099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.190099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.190099 (E_RNA) where: Base-Base interactions energy: -20.716 where: short stacking energy: -20.252 Base-Backbone interact. energy: -0.037 local terms energy: -28.437273 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -53.487401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.487401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.487401 (E_RNA) where: Base-Base interactions energy: -20.625 where: short stacking energy: -15.214 Base-Backbone interact. energy: -0.790 local terms energy: -32.072834 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -41.326000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.326000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.326000 (E_RNA) where: Base-Base interactions energy: -13.722 where: short stacking energy: -13.290 Base-Backbone interact. energy: -0.102 local terms energy: -27.501771 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -47.069054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.069054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.069054 (E_RNA) where: Base-Base interactions energy: -19.075 where: short stacking energy: -19.075 Base-Backbone interact. energy: -0.004 local terms energy: -27.989764 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -46.538307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.538307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.538307 (E_RNA) where: Base-Base interactions energy: -20.390 where: short stacking energy: -18.001 Base-Backbone interact. energy: -0.008 local terms energy: -26.139794 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -66.055756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.055756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.055756 (E_RNA) where: Base-Base interactions energy: -29.303 where: short stacking energy: -29.303 Base-Backbone interact. energy: -0.002 local terms energy: -36.750441 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -6.499 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: 2, replica: 4 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -53.820912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.820912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.820912 (E_RNA) where: Base-Base interactions energy: -18.272 where: short stacking energy: -18.272 Base-Backbone interact. energy: -0.004 local terms energy: -35.545264 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -4.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -50.642631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.642631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.642631 (E_RNA) where: Base-Base interactions energy: -17.797 where: short stacking energy: -17.797 Base-Backbone interact. energy: -0.135 local terms energy: -32.710787 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -2.410 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: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -51.180275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.180275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.180275 (E_RNA) where: Base-Base interactions energy: -19.412 where: short stacking energy: -19.412 Base-Backbone interact. energy: -0.010 local terms energy: -31.757672 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -6.923 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: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -50.951473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.951473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.951473 (E_RNA) where: Base-Base interactions energy: -21.186 where: short stacking energy: -21.186 Base-Backbone interact. energy: -0.019 local terms energy: -29.746682 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.672 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -3.574 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: 6, replica: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -47.801298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.801298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.801298 (E_RNA) where: Base-Base interactions energy: -14.625 where: short stacking energy: -13.948 Base-Backbone interact. energy: -0.023 local terms energy: -33.152983 where: bonds (distance) C4'-P energy: -8.022 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -46.088635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.088635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.088635 (E_RNA) where: Base-Base interactions energy: -19.760 where: short stacking energy: -15.927 Base-Backbone interact. energy: -0.031 local terms energy: -26.297242 where: bonds (distance) C4'-P energy: -3.713 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -43.682692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.682692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.682692 (E_RNA) where: Base-Base interactions energy: -22.048 where: short stacking energy: -11.320 Base-Backbone interact. energy: -0.412 local terms energy: -21.222011 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -4.367 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: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -43.438301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.438301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.438301 (E_RNA) where: Base-Base interactions energy: -18.352 where: short stacking energy: -14.232 Base-Backbone interact. energy: -0.104 local terms energy: -24.983263 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -39.034890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.034890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.034890 (E_RNA) where: Base-Base interactions energy: -11.808 where: short stacking energy: -8.710 Base-Backbone interact. energy: -0.930 local terms energy: -26.297166 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -5.274 flat angles C4'-P-C4' energy: -8.694 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -65.144899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.144899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.144899 (E_RNA) where: Base-Base interactions energy: -29.771 where: short stacking energy: -29.771 Base-Backbone interact. energy: -0.018 local terms energy: -35.356019 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -6.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -69.979749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.979749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.979749 (E_RNA) where: Base-Base interactions energy: -31.333 where: short stacking energy: -24.116 Base-Backbone interact. energy: -0.343 local terms energy: -38.303861 where: bonds (distance) C4'-P energy: -7.033 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -65.077850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.077850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.077850 (E_RNA) where: Base-Base interactions energy: -30.883 where: short stacking energy: -17.344 Base-Backbone interact. energy: -0.693 local terms energy: -33.501022 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -58.637769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.637769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.637769 (E_RNA) where: Base-Base interactions energy: -27.711 where: short stacking energy: -27.711 Base-Backbone interact. energy: -0.102 local terms energy: -30.825224 where: bonds (distance) C4'-P energy: -5.900 bonds (distance) P-C4' energy: -7.811 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -7.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -57.012489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.012489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.012489 (E_RNA) where: Base-Base interactions energy: -22.105 where: short stacking energy: -22.105 Base-Backbone interact. energy: -0.000 local terms energy: -34.906869 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -6.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -43.961737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.961737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.961737 (E_RNA) where: Base-Base interactions energy: -18.740 where: short stacking energy: -18.705 Base-Backbone interact. energy: -0.046 local terms energy: -25.175694 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -5.587 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.841 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: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -48.321493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.321493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.321493 (E_RNA) where: Base-Base interactions energy: -27.544 where: short stacking energy: -21.769 Base-Backbone interact. energy: 0.957 local terms energy: -21.735123 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -1.408 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -51.900767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.900767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.900767 (E_RNA) where: Base-Base interactions energy: -19.920 where: short stacking energy: -14.890 Base-Backbone interact. energy: -0.003 local terms energy: -31.978093 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -4.717 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: 280 Temperature: 1.300000 Total energy: -47.187669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.187669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.187669 (E_RNA) where: Base-Base interactions energy: -17.586 where: short stacking energy: -17.586 Base-Backbone interact. energy: -0.205 local terms energy: -29.397239 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -4.250 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: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -43.925375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.925375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.925375 (E_RNA) where: Base-Base interactions energy: -16.432 where: short stacking energy: -15.973 Base-Backbone interact. energy: -0.093 local terms energy: -27.400504 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -4.218 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -6.330 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: 1, replica: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -67.447954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.447954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.447954 (E_RNA) where: Base-Base interactions energy: -32.721 where: short stacking energy: -24.431 Base-Backbone interact. energy: -0.000 local terms energy: -34.726539 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -8.294 flat angles C4'-P-C4' energy: -9.272 flat angles P-C4'-P energy: -4.005 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: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -63.887584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.887584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.887584 (E_RNA) where: Base-Base interactions energy: -34.898 where: short stacking energy: -23.074 Base-Backbone interact. energy: -0.035 local terms energy: -28.954278 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -55.724609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.724609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.724609 (E_RNA) where: Base-Base interactions energy: -25.422 where: short stacking energy: -25.422 Base-Backbone interact. energy: -0.000 local terms energy: -30.302621 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -8.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -61.010186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.010186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.010186 (E_RNA) where: Base-Base interactions energy: -23.334 where: short stacking energy: -23.334 Base-Backbone interact. energy: -0.005 local terms energy: -37.670760 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -6.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -52.174205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.174205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.174205 (E_RNA) where: Base-Base interactions energy: -19.282 where: short stacking energy: -19.282 Base-Backbone interact. energy: -0.092 local terms energy: -32.800728 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -2.444 tors. eta vs tors. theta energy: -8.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -44.787693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.787693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.787693 (E_RNA) where: Base-Base interactions energy: -19.388 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.065 local terms energy: -25.334446 where: bonds (distance) C4'-P energy: -3.507 bonds (distance) P-C4' energy: -7.664 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -4.276 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: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -50.072064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.072064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.072064 (E_RNA) where: Base-Base interactions energy: -21.355 where: short stacking energy: -21.355 Base-Backbone interact. energy: -0.005 local terms energy: -28.712011 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.278 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: 8, replica: 8 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -56.599073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.599073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.599073 (E_RNA) where: Base-Base interactions energy: -23.517 where: short stacking energy: -23.517 Base-Backbone interact. energy: -0.086 local terms energy: -32.995692 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -53.183079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.183079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.183079 (E_RNA) where: Base-Base interactions energy: -22.950 where: short stacking energy: -22.950 Base-Backbone interact. energy: -0.091 local terms energy: -30.141797 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -50.455634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.455634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.455634 (E_RNA) where: Base-Base interactions energy: -21.666 where: short stacking energy: -21.666 Base-Backbone interact. energy: -0.087 local terms energy: -28.702567 where: bonds (distance) C4'-P energy: -3.336 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -0.504 tors. eta vs tors. theta energy: -9.157 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: 1, replica: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -65.195633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.195633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.195633 (E_RNA) where: Base-Base interactions energy: -29.948 where: short stacking energy: -26.928 Base-Backbone interact. energy: -0.103 local terms energy: -35.145319 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -6.062 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -5.556 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: 2, replica: 4 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -70.399177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.399177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.399177 (E_RNA) where: Base-Base interactions energy: -37.514 where: short stacking energy: -33.795 Base-Backbone interact. energy: -0.097 local terms energy: -32.788549 where: bonds (distance) C4'-P energy: -5.046 bonds (distance) P-C4' energy: -7.057 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -3.006 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: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -64.003417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.003417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.003417 (E_RNA) where: Base-Base interactions energy: -33.094 where: short stacking energy: -26.038 Base-Backbone interact. energy: -0.113 local terms energy: -30.795769 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: -3.213 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: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -53.368300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.368300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.368300 (E_RNA) where: Base-Base interactions energy: -20.799 where: short stacking energy: -20.799 Base-Backbone interact. energy: -0.043 local terms energy: -32.525805 where: bonds (distance) C4'-P energy: -5.697 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -49.544063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.544063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.544063 (E_RNA) where: Base-Base interactions energy: -14.721 where: short stacking energy: -14.721 Base-Backbone interact. energy: -0.212 local terms energy: -34.611108 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -3.592 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: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -52.029749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.029749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.029749 (E_RNA) where: Base-Base interactions energy: -23.053 where: short stacking energy: -19.035 Base-Backbone interact. energy: -0.002 local terms energy: -28.974620 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -43.874742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.874742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.874742 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.760 Base-Backbone interact. energy: -0.065 local terms energy: -29.349288 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -51.664642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.664642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.664642 (E_RNA) where: Base-Base interactions energy: -20.892 where: short stacking energy: -20.892 Base-Backbone interact. energy: -0.095 local terms energy: -30.677947 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -3.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -43.159580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.159580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.159580 (E_RNA) where: Base-Base interactions energy: -17.092 where: short stacking energy: -17.092 Base-Backbone interact. energy: -0.090 local terms energy: -25.976982 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -37.436208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.436208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.436208 (E_RNA) where: Base-Base interactions energy: -8.330 where: short stacking energy: -7.388 Base-Backbone interact. energy: -0.050 local terms energy: -29.056179 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -6.364 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: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -74.910811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.910811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.910811 (E_RNA) where: Base-Base interactions energy: -40.785 where: short stacking energy: -28.546 Base-Backbone interact. energy: -0.008 local terms energy: -34.118230 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -80.378794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.378794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.378794 (E_RNA) where: Base-Base interactions energy: -40.736 where: short stacking energy: -24.279 Base-Backbone interact. energy: -0.457 local terms energy: -39.185928 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -9.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -52.214546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.214546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.214546 (E_RNA) where: Base-Base interactions energy: -17.602 where: short stacking energy: -17.602 Base-Backbone interact. energy: -0.223 local terms energy: -34.389276 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -56.691352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.691352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.691352 (E_RNA) where: Base-Base interactions energy: -24.915 where: short stacking energy: -24.915 Base-Backbone interact. energy: -0.053 local terms energy: -31.722896 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -46.137210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.137210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.137210 (E_RNA) where: Base-Base interactions energy: -18.158 where: short stacking energy: -18.158 Base-Backbone interact. energy: -0.411 local terms energy: -27.568481 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -55.415176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.415176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.415176 (E_RNA) where: Base-Base interactions energy: -24.202 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.722 local terms energy: -30.491321 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -41.542084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.542084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.542084 (E_RNA) where: Base-Base interactions energy: -13.981 where: short stacking energy: -11.689 Base-Backbone interact. energy: -0.010 local terms energy: -27.551238 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.923 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: 0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -50.826458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.826458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.826458 (E_RNA) where: Base-Base interactions energy: -25.625 where: short stacking energy: -14.041 Base-Backbone interact. energy: -0.100 local terms energy: -25.101641 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -46.762386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.762386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.762386 (E_RNA) where: Base-Base interactions energy: -16.273 where: short stacking energy: -16.273 Base-Backbone interact. energy: -0.002 local terms energy: -30.486870 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -53.631629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.631629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.631629 (E_RNA) where: Base-Base interactions energy: -20.562 where: short stacking energy: -8.955 Base-Backbone interact. energy: -0.021 local terms energy: -33.048628 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -78.051390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.051390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.051390 (E_RNA) where: Base-Base interactions energy: -48.240 where: short stacking energy: -26.207 Base-Backbone interact. energy: -0.002 local terms energy: -29.809202 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.024 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -2.974 tors. eta vs tors. theta energy: -5.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -64.138405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.138405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.138405 (E_RNA) where: Base-Base interactions energy: -32.211 where: short stacking energy: -26.911 Base-Backbone interact. energy: -0.007 local terms energy: -31.920416 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -65.630437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.630437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.630437 (E_RNA) where: Base-Base interactions energy: -28.969 where: short stacking energy: -28.969 Base-Backbone interact. energy: -0.000 local terms energy: -36.661112 where: bonds (distance) C4'-P energy: -4.955 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -6.735 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: 4, replica: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -45.972439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.972439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.972439 (E_RNA) where: Base-Base interactions energy: -14.465 where: short stacking energy: -14.465 Base-Backbone interact. energy: -0.042 local terms energy: -31.465391 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -52.518180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.518180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.518180 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -32.947146 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -5.322 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: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -53.552580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.552580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.552580 (E_RNA) where: Base-Base interactions energy: -21.012 where: short stacking energy: -21.012 Base-Backbone interact. energy: -0.020 local terms energy: -32.520274 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.129 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -43.903748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.903748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.903748 (E_RNA) where: Base-Base interactions energy: -16.952 where: short stacking energy: -11.741 Base-Backbone interact. energy: -0.042 local terms energy: -26.909938 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: 0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -64.972623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.972623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.972623 (E_RNA) where: Base-Base interactions energy: -33.624 where: short stacking energy: -23.518 Base-Backbone interact. energy: -0.505 local terms energy: -30.843613 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -5.519 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: 9, replica: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -45.696402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.696402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.696402 (E_RNA) where: Base-Base interactions energy: -13.960 where: short stacking energy: -13.960 Base-Backbone interact. energy: -0.805 local terms energy: -30.931387 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -3.214 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: 10, replica: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -41.121042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.121042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.121042 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.088 local terms energy: -27.295599 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -70.566625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.566625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.566625 (E_RNA) where: Base-Base interactions energy: -33.342 where: short stacking energy: -33.342 Base-Backbone interact. energy: -0.000 local terms energy: -37.224968 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -10.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -71.934846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.934846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.934846 (E_RNA) where: Base-Base interactions energy: -35.566 where: short stacking energy: -35.566 Base-Backbone interact. energy: -0.000 local terms energy: -36.368656 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -9.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -55.936430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.936430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.936430 (E_RNA) where: Base-Base interactions energy: -20.522 where: short stacking energy: -20.522 Base-Backbone interact. energy: -0.000 local terms energy: -35.414616 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -6.300 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: 4, replica: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -55.145942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.145942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.145942 (E_RNA) where: Base-Base interactions energy: -24.026 where: short stacking energy: -24.026 Base-Backbone interact. energy: -0.098 local terms energy: -31.021298 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -1.393 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: 5 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -55.456290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.456290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.456290 (E_RNA) where: Base-Base interactions energy: -19.662 where: short stacking energy: -19.662 Base-Backbone interact. energy: -0.000 local terms energy: -35.794193 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -7.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -46.961998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.961998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.961998 (E_RNA) where: Base-Base interactions energy: -13.872 where: short stacking energy: -13.872 Base-Backbone interact. energy: -0.027 local terms energy: -33.062836 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -2.106 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: 285 Temperature: 1.200000 Total energy: -45.939824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.939824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.939824 (E_RNA) where: Base-Base interactions energy: -16.009 where: short stacking energy: -15.521 Base-Backbone interact. energy: -0.001 local terms energy: -29.929445 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -5.416 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: 8, replica: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -55.495793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.495793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.495793 (E_RNA) where: Base-Base interactions energy: -24.066 where: short stacking energy: -24.066 Base-Backbone interact. energy: -0.002 local terms energy: -31.428334 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -5.978 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: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -45.525100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.525100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.525100 (E_RNA) where: Base-Base interactions energy: -21.152 where: short stacking energy: -21.152 Base-Backbone interact. energy: -0.096 local terms energy: -24.276607 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -1.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -37.488621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.488621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.488621 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.086 local terms energy: -23.876229 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: 2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -74.131737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.131737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.131737 (E_RNA) where: Base-Base interactions energy: -34.850 where: short stacking energy: -34.850 Base-Backbone interact. energy: -0.000 local terms energy: -39.281187 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: -11.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -67.733335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.733335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.733335 (E_RNA) where: Base-Base interactions energy: -28.306 where: short stacking energy: -28.306 Base-Backbone interact. energy: -0.000 local terms energy: -39.427152 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -4.890 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: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -58.208871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.208871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.208871 (E_RNA) where: Base-Base interactions energy: -24.079 where: short stacking energy: -24.079 Base-Backbone interact. energy: -0.000 local terms energy: -34.130044 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -4.083 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: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -52.636043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.636043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.636043 (E_RNA) where: Base-Base interactions energy: -19.558 where: short stacking energy: -19.558 Base-Backbone interact. energy: -0.102 local terms energy: -32.975672 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -9.465 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -3.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -60.766514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.766514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.766514 (E_RNA) where: Base-Base interactions energy: -28.353 where: short stacking energy: -28.353 Base-Backbone interact. energy: -0.000 local terms energy: -32.413071 where: bonds (distance) C4'-P energy: -3.738 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.281 flat angles P-C4'-P energy: -4.942 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: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -49.992594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.992594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.992594 (E_RNA) where: Base-Base interactions energy: -22.505 where: short stacking energy: -22.505 Base-Backbone interact. energy: -0.030 local terms energy: -27.458025 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -53.392283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.392283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.392283 (E_RNA) where: Base-Base interactions energy: -21.725 where: short stacking energy: -21.232 Base-Backbone interact. energy: -0.000 local terms energy: -31.666694 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.500 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: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -48.879635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.879635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.879635 (E_RNA) where: Base-Base interactions energy: -17.151 where: short stacking energy: -15.765 Base-Backbone interact. energy: -0.003 local terms energy: -31.725308 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -6.410 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: 9, replica: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -44.834814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.834814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.834814 (E_RNA) where: Base-Base interactions energy: -17.388 where: short stacking energy: -17.388 Base-Backbone interact. energy: -0.074 local terms energy: -27.372765 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -1.869 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: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -45.882976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.882976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.882976 (E_RNA) where: Base-Base interactions energy: -14.457 where: short stacking energy: -14.457 Base-Backbone interact. energy: -0.031 local terms energy: -31.394619 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -8.922 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -66.057153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.057153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.057153 (E_RNA) where: Base-Base interactions energy: -33.169 where: short stacking energy: -24.412 Base-Backbone interact. energy: -0.000 local terms energy: -32.888319 where: bonds (distance) C4'-P energy: -4.550 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -8.920 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -7.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -62.490676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.490676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.490676 (E_RNA) where: Base-Base interactions energy: -29.985 where: short stacking energy: -29.985 Base-Backbone interact. energy: -0.103 local terms energy: -32.402807 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -8.949 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -4.698 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: 4 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -64.858509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.858509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.858509 (E_RNA) where: Base-Base interactions energy: -27.637 where: short stacking energy: -21.575 Base-Backbone interact. energy: -1.411 local terms energy: -35.810190 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -6.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -53.749413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.749413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.749413 (E_RNA) where: Base-Base interactions energy: -19.921 where: short stacking energy: -19.921 Base-Backbone interact. energy: -0.019 local terms energy: -33.809527 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -57.206251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.206251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.206251 (E_RNA) where: Base-Base interactions energy: -26.478 where: short stacking energy: -26.478 Base-Backbone interact. energy: -0.000 local terms energy: -30.727524 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -2.778 flat angles P-C4'-P energy: -7.250 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: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -57.073051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.073051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.073051 (E_RNA) where: Base-Base interactions energy: -23.130 where: short stacking energy: -23.130 Base-Backbone interact. energy: -0.000 local terms energy: -33.943410 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -4.487 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: 7, replica: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -39.728990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.728990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.728990 (E_RNA) where: Base-Base interactions energy: -9.290 where: short stacking energy: -9.290 Base-Backbone interact. energy: -0.001 local terms energy: -30.437605 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -49.654717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.654717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.654717 (E_RNA) where: Base-Base interactions energy: -21.467 where: short stacking energy: -21.467 Base-Backbone interact. energy: -0.004 local terms energy: -28.183710 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -6.388 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -4.750 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: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -44.207687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.207687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.207687 (E_RNA) where: Base-Base interactions energy: -20.547 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.231 local terms energy: -23.429114 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -5.362 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: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -43.944439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.944439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.944439 (E_RNA) where: Base-Base interactions energy: -16.883 where: short stacking energy: -16.883 Base-Backbone interact. energy: -0.004 local terms energy: -27.057644 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.970 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: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -61.504441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.504441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.504441 (E_RNA) where: Base-Base interactions energy: -29.374 where: short stacking energy: -22.976 Base-Backbone interact. energy: -0.031 local terms energy: -32.098595 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -4.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -70.166482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.166482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.166482 (E_RNA) where: Base-Base interactions energy: -30.496 where: short stacking energy: -30.496 Base-Backbone interact. energy: -0.000 local terms energy: -39.670793 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -4.711 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: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -69.850480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.850480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.850480 (E_RNA) where: Base-Base interactions energy: -37.062 where: short stacking energy: -26.249 Base-Backbone interact. energy: -0.001 local terms energy: -32.787495 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -6.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -51.114148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.114148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.114148 (E_RNA) where: Base-Base interactions energy: -20.525 where: short stacking energy: -18.757 Base-Backbone interact. energy: -0.005 local terms energy: -30.584735 where: bonds (distance) C4'-P energy: -6.909 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -8.611 flat angles P-C4'-P energy: -4.958 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: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -62.983292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.983292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.983292 (E_RNA) where: Base-Base interactions energy: -30.908 where: short stacking energy: -23.279 Base-Backbone interact. energy: 0.712 local terms energy: -32.787918 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -5.432 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -6.265 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: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -56.066201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.066201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.066201 (E_RNA) where: Base-Base interactions energy: -20.451 where: short stacking energy: -20.451 Base-Backbone interact. energy: -0.000 local terms energy: -35.614995 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -45.619539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.619539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.619539 (E_RNA) where: Base-Base interactions energy: -17.283 where: short stacking energy: -14.208 Base-Backbone interact. energy: -0.077 local terms energy: -28.259223 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -46.103883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.103883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.103883 (E_RNA) where: Base-Base interactions energy: -19.281 where: short stacking energy: -19.281 Base-Backbone interact. energy: -0.001 local terms energy: -26.821459 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -3.357 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: 3 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -39.704195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.704195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.704195 (E_RNA) where: Base-Base interactions energy: -9.824 where: short stacking energy: -6.811 Base-Backbone interact. energy: -0.008 local terms energy: -29.873011 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -45.255525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.255525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.255525 (E_RNA) where: Base-Base interactions energy: -16.176 where: short stacking energy: -16.176 Base-Backbone interact. energy: -0.324 local terms energy: -28.755996 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -4.669 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: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -66.203966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.203966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.203966 (E_RNA) where: Base-Base interactions energy: -29.362 where: short stacking energy: -29.362 Base-Backbone interact. energy: -0.000 local terms energy: -36.841570 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -5.683 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: 4 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -75.029598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.029598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.029598 (E_RNA) where: Base-Base interactions energy: -40.007 where: short stacking energy: -27.630 Base-Backbone interact. energy: -0.658 local terms energy: -34.364441 where: bonds (distance) C4'-P energy: -7.562 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -6.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -58.515991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.515991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.515991 (E_RNA) where: Base-Base interactions energy: -22.350 where: short stacking energy: -21.505 Base-Backbone interact. energy: -0.065 local terms energy: -36.101298 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -54.666612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.666612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.666612 (E_RNA) where: Base-Base interactions energy: -27.195 where: short stacking energy: -12.117 Base-Backbone interact. energy: -0.178 local terms energy: -27.293426 where: bonds (distance) C4'-P energy: -5.639 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -6.348 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: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -55.935398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.935398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.935398 (E_RNA) where: Base-Base interactions energy: -24.555 where: short stacking energy: -24.555 Base-Backbone interact. energy: -0.001 local terms energy: -31.379317 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -8.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -47.592888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.592888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.592888 (E_RNA) where: Base-Base interactions energy: -14.512 where: short stacking energy: -14.512 Base-Backbone interact. energy: -0.001 local terms energy: -33.080748 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -46.868718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.868718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.868718 (E_RNA) where: Base-Base interactions energy: -16.256 where: short stacking energy: -16.256 Base-Backbone interact. energy: -0.012 local terms energy: -30.600999 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -8.807 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -45.334307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.334307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.334307 (E_RNA) where: Base-Base interactions energy: -18.075 where: short stacking energy: -18.075 Base-Backbone interact. energy: -0.000 local terms energy: -27.258855 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: 0.983 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -42.924924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.924924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.924924 (E_RNA) where: Base-Base interactions energy: -14.683 where: short stacking energy: -14.683 Base-Backbone interact. energy: -0.068 local terms energy: -28.173999 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -6.812 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: 289 Temperature: 1.350000 Total energy: -44.496475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.496475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.496475 (E_RNA) where: Base-Base interactions energy: -19.193 where: short stacking energy: -19.193 Base-Backbone interact. energy: -0.000 local terms energy: -25.302900 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -1.757 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: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -62.496547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.496547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.496547 (E_RNA) where: Base-Base interactions energy: -23.964 where: short stacking energy: -23.964 Base-Backbone interact. energy: -0.000 local terms energy: -38.532137 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -7.169 tors. eta vs tors. theta energy: -9.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -77.158677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.158677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.158677 (E_RNA) where: Base-Base interactions energy: -41.673 where: short stacking energy: -26.134 Base-Backbone interact. energy: 0.315 local terms energy: -35.800677 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -6.701 tors. eta vs tors. theta energy: -4.807 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: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -61.780194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.780194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.780194 (E_RNA) where: Base-Base interactions energy: -30.153 where: short stacking energy: -27.319 Base-Backbone interact. energy: -0.000 local terms energy: -31.626843 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -5.058 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: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -58.239746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.239746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.239746 (E_RNA) where: Base-Base interactions energy: -23.718 where: short stacking energy: -22.825 Base-Backbone interact. energy: -0.000 local terms energy: -34.521719 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -52.105854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.105854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.105854 (E_RNA) where: Base-Base interactions energy: -23.256 where: short stacking energy: -23.256 Base-Backbone interact. energy: -0.003 local terms energy: -28.847088 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -1.304 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: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -52.655273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.655273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.655273 (E_RNA) where: Base-Base interactions energy: -21.757 where: short stacking energy: -18.296 Base-Backbone interact. energy: -0.011 local terms energy: -30.887664 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -3.562 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: 7, replica: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -43.850726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.850726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.850726 (E_RNA) where: Base-Base interactions energy: -17.551 where: short stacking energy: -16.805 Base-Backbone interact. energy: 0.001 local terms energy: -26.300692 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: 0.267 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: 8, replica: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -45.330146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.330146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.330146 (E_RNA) where: Base-Base interactions energy: -15.686 where: short stacking energy: -15.412 Base-Backbone interact. energy: -0.001 local terms energy: -29.643135 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -43.858799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.858799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.858799 (E_RNA) where: Base-Base interactions energy: -14.410 where: short stacking energy: -14.410 Base-Backbone interact. energy: -0.106 local terms energy: -29.341943 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -0.763 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -46.093163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.093163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.093163 (E_RNA) where: Base-Base interactions energy: -17.393 where: short stacking energy: -17.393 Base-Backbone interact. energy: -0.169 local terms energy: -28.531174 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -5.936 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -64.034101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.034101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.034101 (E_RNA) where: Base-Base interactions energy: -26.663 where: short stacking energy: -26.663 Base-Backbone interact. energy: -0.000 local terms energy: -37.370800 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -6.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -80.775720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.775720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.775720 (E_RNA) where: Base-Base interactions energy: -40.674 where: short stacking energy: -25.210 Base-Backbone interact. energy: -0.000 local terms energy: -40.101462 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -7.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -63.226356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.226356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.226356 (E_RNA) where: Base-Base interactions energy: -26.992 where: short stacking energy: -26.992 Base-Backbone interact. energy: -0.000 local terms energy: -36.233844 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -6.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -62.921874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.921874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.921874 (E_RNA) where: Base-Base interactions energy: -31.437 where: short stacking energy: -25.375 Base-Backbone interact. energy: -0.001 local terms energy: -31.484616 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -3.204 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: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -57.889519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.889519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.889519 (E_RNA) where: Base-Base interactions energy: -24.861 where: short stacking energy: -24.861 Base-Backbone interact. energy: -0.016 local terms energy: -33.012590 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -3.367 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: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -54.030020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.030020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.030020 (E_RNA) where: Base-Base interactions energy: -21.742 where: short stacking energy: -21.742 Base-Backbone interact. energy: -0.007 local terms energy: -32.281223 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -5.192 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: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -44.759647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.759647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.759647 (E_RNA) where: Base-Base interactions energy: -17.770 where: short stacking energy: -16.735 Base-Backbone interact. energy: -0.368 local terms energy: -26.621047 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -8.934 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -46.072620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.072620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.072620 (E_RNA) where: Base-Base interactions energy: -24.044 where: short stacking energy: -15.309 Base-Backbone interact. energy: -0.072 local terms energy: -21.956246 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: 1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -46.236148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.236148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.236148 (E_RNA) where: Base-Base interactions energy: -19.179 where: short stacking energy: -19.179 Base-Backbone interact. energy: -0.105 local terms energy: -26.951232 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -2.790 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -5.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -39.967058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.967058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.967058 (E_RNA) where: Base-Base interactions energy: -18.866 where: short stacking energy: -18.866 Base-Backbone interact. energy: -0.005 local terms energy: -21.095655 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -3.356 flat angles P-C4'-P energy: 1.222 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: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -64.572725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.572725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.572725 (E_RNA) where: Base-Base interactions energy: -34.531 where: short stacking energy: -19.608 Base-Backbone interact. energy: -0.019 local terms energy: -30.022674 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -58.661755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.661755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.661755 (E_RNA) where: Base-Base interactions energy: -24.097 where: short stacking energy: -23.829 Base-Backbone interact. energy: -0.037 local terms energy: -34.527682 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -6.475 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: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -63.659626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.659626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.659626 (E_RNA) where: Base-Base interactions energy: -29.787 where: short stacking energy: -28.941 Base-Backbone interact. energy: -0.000 local terms energy: -33.872499 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -5.014 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: -7.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -52.588545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.588545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.588545 (E_RNA) where: Base-Base interactions energy: -22.513 where: short stacking energy: -16.162 Base-Backbone interact. energy: -0.015 local terms energy: -30.060780 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -4.315 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: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -52.497758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.497758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.497758 (E_RNA) where: Base-Base interactions energy: -20.973 where: short stacking energy: -20.973 Base-Backbone interact. energy: -0.073 local terms energy: -31.451582 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -8.538 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -64.149355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.149355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.149355 (E_RNA) where: Base-Base interactions energy: -24.245 where: short stacking energy: -24.245 Base-Backbone interact. energy: -0.000 local terms energy: -39.903833 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -9.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -59.194981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.194981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.194981 (E_RNA) where: Base-Base interactions energy: -29.057 where: short stacking energy: -29.057 Base-Backbone interact. energy: -0.000 local terms energy: -30.138165 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -6.377 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: 292 Temperature: 1.250000 Total energy: -49.254714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.254714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.254714 (E_RNA) where: Base-Base interactions energy: -17.590 where: short stacking energy: -17.590 Base-Backbone interact. energy: -0.019 local terms energy: -31.645115 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -42.809444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.809444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.809444 (E_RNA) where: Base-Base interactions energy: -19.698 where: short stacking energy: -16.228 Base-Backbone interact. energy: -0.000 local terms energy: -23.111133 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: 1.723 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -42.428098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.428098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.428098 (E_RNA) where: Base-Base interactions energy: -18.816 where: short stacking energy: -18.816 Base-Backbone interact. energy: -0.041 local terms energy: -23.571168 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -65.281949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.281949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.281949 (E_RNA) where: Base-Base interactions energy: -27.580 where: short stacking energy: -27.580 Base-Backbone interact. energy: -0.000 local terms energy: -37.701913 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -5.769 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: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -58.704943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.704943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.704943 (E_RNA) where: Base-Base interactions energy: -28.276 where: short stacking energy: -18.527 Base-Backbone interact. energy: -0.063 local terms energy: -30.365901 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -59.334145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.334145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.334145 (E_RNA) where: Base-Base interactions energy: -22.340 where: short stacking energy: -22.340 Base-Backbone interact. energy: -0.073 local terms energy: -36.922016 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -56.036653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.036653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.036653 (E_RNA) where: Base-Base interactions energy: -23.957 where: short stacking energy: -23.957 Base-Backbone interact. energy: -0.684 local terms energy: -31.395289 where: bonds (distance) C4'-P energy: -4.065 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.402 flat angles P-C4'-P energy: -1.698 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: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -50.049500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.049500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.049500 (E_RNA) where: Base-Base interactions energy: -16.069 where: short stacking energy: -16.069 Base-Backbone interact. energy: -0.002 local terms energy: -33.978146 where: bonds (distance) C4'-P energy: -7.179 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -5.375 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: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -43.037091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.037091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.037091 (E_RNA) where: Base-Base interactions energy: -20.482 where: short stacking energy: -18.320 Base-Backbone interact. energy: -0.129 local terms energy: -22.426003 where: bonds (distance) C4'-P energy: -6.787 bonds (distance) P-C4' energy: -5.070 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.982 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: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -45.737812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.737812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.737812 (E_RNA) where: Base-Base interactions energy: -15.471 where: short stacking energy: -15.471 Base-Backbone interact. energy: -0.014 local terms energy: -30.252510 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -46.754054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.754054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.754054 (E_RNA) where: Base-Base interactions energy: -17.628 where: short stacking energy: -17.628 Base-Backbone interact. energy: -0.059 local terms energy: -29.067156 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.454 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -42.025376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.025376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.025376 (E_RNA) where: Base-Base interactions energy: -11.339 where: short stacking energy: -11.339 Base-Backbone interact. energy: -0.101 local terms energy: -30.585997 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -5.097 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: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -42.215699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.215699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.215699 (E_RNA) where: Base-Base interactions energy: -16.217 where: short stacking energy: -7.976 Base-Backbone interact. energy: -0.011 local terms energy: -25.987529 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -1.251 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: 294 Temperature: 0.900000 Total energy: -68.678764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.678764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.678764 (E_RNA) where: Base-Base interactions energy: -31.631 where: short stacking energy: -31.631 Base-Backbone interact. energy: -0.070 local terms energy: -36.978651 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -8.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -65.921276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.921276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.921276 (E_RNA) where: Base-Base interactions energy: -28.767 where: short stacking energy: -28.487 Base-Backbone interact. energy: -0.000 local terms energy: -37.153911 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -7.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -55.445517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.445517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.445517 (E_RNA) where: Base-Base interactions energy: -30.572 where: short stacking energy: -22.949 Base-Backbone interact. energy: -0.000 local terms energy: -24.873841 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.558 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -0.722 tors. eta vs tors. theta energy: -4.395 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: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -45.840530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.840530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.840530 (E_RNA) where: Base-Base interactions energy: -13.746 where: short stacking energy: -13.746 Base-Backbone interact. energy: -0.028 local terms energy: -32.066707 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -48.012416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.012416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.012416 (E_RNA) where: Base-Base interactions energy: -19.510 where: short stacking energy: -18.979 Base-Backbone interact. energy: -0.013 local terms energy: -28.489681 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -0.327 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: 294 Temperature: 1.150000 Total energy: -55.423839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.423839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.423839 (E_RNA) where: Base-Base interactions energy: -22.808 where: short stacking energy: -22.808 Base-Backbone interact. energy: -0.013 local terms energy: -32.602640 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -4.509 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: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -58.862913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.862913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.862913 (E_RNA) where: Base-Base interactions energy: -31.507 where: short stacking energy: -9.335 Base-Backbone interact. energy: -0.045 local terms energy: -27.311368 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -5.954 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: 8, replica: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -49.398310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.398310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.398310 (E_RNA) where: Base-Base interactions energy: -22.686 where: short stacking energy: -14.724 Base-Backbone interact. energy: -1.120 local terms energy: -25.592527 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -46.889944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.889944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.889944 (E_RNA) where: Base-Base interactions energy: -15.948 where: short stacking energy: -15.392 Base-Backbone interact. energy: -0.002 local terms energy: -30.939669 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -6.775 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -45.319327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.319327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.319327 (E_RNA) where: Base-Base interactions energy: -15.553 where: short stacking energy: -15.553 Base-Backbone interact. energy: -0.001 local terms energy: -29.764977 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.647 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -66.497671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.497671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.497671 (E_RNA) where: Base-Base interactions energy: -33.371 where: short stacking energy: -27.436 Base-Backbone interact. energy: -0.000 local terms energy: -33.126738 where: bonds (distance) C4'-P energy: -5.700 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -8.307 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: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -62.172859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.172859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.172859 (E_RNA) where: Base-Base interactions energy: -28.109 where: short stacking energy: -20.229 Base-Backbone interact. energy: -0.027 local terms energy: -34.037259 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -6.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -58.378637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.378637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.378637 (E_RNA) where: Base-Base interactions energy: -23.088 where: short stacking energy: -23.088 Base-Backbone interact. energy: -0.101 local terms energy: -35.189624 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -52.866359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.866359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.866359 (E_RNA) where: Base-Base interactions energy: -25.738 where: short stacking energy: -14.967 Base-Backbone interact. energy: -0.083 local terms energy: -27.046059 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -49.098329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.098329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.098329 (E_RNA) where: Base-Base interactions energy: -19.503 where: short stacking energy: -19.503 Base-Backbone interact. energy: -0.000 local terms energy: -29.595061 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -53.145589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.145589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.145589 (E_RNA) where: Base-Base interactions energy: -22.077 where: short stacking energy: -17.933 Base-Backbone interact. energy: -0.095 local terms energy: -30.973626 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -2.935 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: 7, replica: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -42.813079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.813079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.813079 (E_RNA) where: Base-Base interactions energy: -14.329 where: short stacking energy: -14.329 Base-Backbone interact. energy: -0.082 local terms energy: -28.401674 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: 0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -49.322756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.322756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.322756 (E_RNA) where: Base-Base interactions energy: -19.499 where: short stacking energy: -19.499 Base-Backbone interact. energy: 0.970 local terms energy: -30.792982 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -6.504 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: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -41.619198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.619198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.619198 (E_RNA) where: Base-Base interactions energy: -13.097 where: short stacking energy: -13.447 Base-Backbone interact. energy: -0.015 local terms energy: -28.507437 where: bonds (distance) C4'-P energy: -4.799 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -5.156 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: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -42.098718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.098718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.098718 (E_RNA) where: Base-Base interactions energy: -17.322 where: short stacking energy: -17.322 Base-Backbone interact. energy: -0.014 local terms energy: -24.762721 where: bonds (distance) C4'-P energy: -1.809 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -3.765 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: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -63.068295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.068295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.068295 (E_RNA) where: Base-Base interactions energy: -30.451 where: short stacking energy: -19.843 Base-Backbone interact. energy: -0.006 local terms energy: -32.611608 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -5.150 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: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -55.916512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.916512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.916512 (E_RNA) where: Base-Base interactions energy: -21.229 where: short stacking energy: -21.229 Base-Backbone interact. energy: -0.098 local terms energy: -34.589819 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -5.033 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: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -60.622298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.622298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.622298 (E_RNA) where: Base-Base interactions energy: -24.120 where: short stacking energy: -24.120 Base-Backbone interact. energy: -0.000 local terms energy: -36.502685 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -4.551 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: 4, replica: 6 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -63.723327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.723327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.723327 (E_RNA) where: Base-Base interactions energy: -38.222 where: short stacking energy: -25.173 Base-Backbone interact. energy: 1.735 local terms energy: -27.235894 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -55.770507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.770507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.770507 (E_RNA) where: Base-Base interactions energy: -21.646 where: short stacking energy: -21.646 Base-Backbone interact. energy: -0.088 local terms energy: -34.036767 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -8.172 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: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -46.776830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.776830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.776830 (E_RNA) where: Base-Base interactions energy: -18.000 where: short stacking energy: -10.708 Base-Backbone interact. energy: -0.005 local terms energy: -28.771816 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -5.927 tors. eta vs tors. theta energy: -1.495 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: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -44.751196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.751196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.751196 (E_RNA) where: Base-Base interactions energy: -17.329 where: short stacking energy: -15.688 Base-Backbone interact. energy: -0.023 local terms energy: -27.399110 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -1.922 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: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -55.767320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.767320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.767320 (E_RNA) where: Base-Base interactions energy: -20.510 where: short stacking energy: -20.198 Base-Backbone interact. energy: -0.002 local terms energy: -35.255356 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -6.728 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: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -51.340697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.340697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.340697 (E_RNA) where: Base-Base interactions energy: -20.708 where: short stacking energy: -11.489 Base-Backbone interact. energy: -0.097 local terms energy: -30.535649 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -40.723485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.723485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.723485 (E_RNA) where: Base-Base interactions energy: -10.162 where: short stacking energy: -9.909 Base-Backbone interact. energy: -1.122 local terms energy: -29.439202 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -0.468 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: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -74.254292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.254292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.254292 (E_RNA) where: Base-Base interactions energy: -34.932 where: short stacking energy: -34.932 Base-Backbone interact. energy: -0.000 local terms energy: -39.321923 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -5.842 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: 2, replica: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -59.851811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.851811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.851811 (E_RNA) where: Base-Base interactions energy: -24.502 where: short stacking energy: -18.340 Base-Backbone interact. energy: -0.151 local terms energy: -35.198964 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -5.476 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: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -62.374057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.374057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.374057 (E_RNA) where: Base-Base interactions energy: -34.520 where: short stacking energy: -19.180 Base-Backbone interact. energy: -0.014 local terms energy: -27.840692 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: 0.743 tors. eta vs tors. theta energy: -5.945 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: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -61.228688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.228688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.228688 (E_RNA) where: Base-Base interactions energy: -32.751 where: short stacking energy: -26.464 Base-Backbone interact. energy: -0.053 local terms energy: -28.424960 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: 0.463 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -51.696327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.696327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.696327 (E_RNA) where: Base-Base interactions energy: -26.453 where: short stacking energy: -21.385 Base-Backbone interact. energy: -1.100 local terms energy: -24.142759 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -1.247 tors. eta vs tors. theta energy: -4.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -51.695226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.695226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.695226 (E_RNA) where: Base-Base interactions energy: -25.536 where: short stacking energy: -22.880 Base-Backbone interact. energy: -0.027 local terms energy: -26.132310 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -1.363 flat angles P-C4'-P energy: -5.150 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: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -57.939049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.939049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.939049 (E_RNA) where: Base-Base interactions energy: -22.335 where: short stacking energy: -22.335 Base-Backbone interact. energy: -0.000 local terms energy: -35.603639 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -5.540 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: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -45.220739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.220739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.220739 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -5.489 Base-Backbone interact. energy: -0.488 local terms energy: -25.162541 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: 3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -43.427271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.427271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.427271 (E_RNA) where: Base-Base interactions energy: -14.063 where: short stacking energy: -12.943 Base-Backbone interact. energy: -0.116 local terms energy: -29.248482 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.064 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -3.685 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: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -45.255289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.255289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.255289 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -18.247 Base-Backbone interact. energy: -0.024 local terms energy: -26.984306 where: bonds (distance) C4'-P energy: -3.681 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -62.370521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.370521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.370521 (E_RNA) where: Base-Base interactions energy: -25.525 where: short stacking energy: -25.525 Base-Backbone interact. energy: -0.005 local terms energy: -36.840620 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -6.004 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: 2, replica: 4 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -64.078291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.078291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.078291 (E_RNA) where: Base-Base interactions energy: -25.167 where: short stacking energy: -25.167 Base-Backbone interact. energy: -0.000 local terms energy: -38.911331 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: -7.853 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: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -65.346677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.346677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.346677 (E_RNA) where: Base-Base interactions energy: -31.574 where: short stacking energy: -31.112 Base-Backbone interact. energy: -0.006 local terms energy: -33.767544 where: bonds (distance) C4'-P energy: -6.093 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -6.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -55.281949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.281949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.281949 (E_RNA) where: Base-Base interactions energy: -26.959 where: short stacking energy: -25.927 Base-Backbone interact. energy: -0.000 local terms energy: -28.322686 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -5.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -56.875365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.875365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.875365 (E_RNA) where: Base-Base interactions energy: -25.569 where: short stacking energy: -16.318 Base-Backbone interact. energy: -0.044 local terms energy: -31.261725 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -52.618674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.618674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.618674 (E_RNA) where: Base-Base interactions energy: -23.324 where: short stacking energy: -23.324 Base-Backbone interact. energy: -0.000 local terms energy: -29.293814 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -5.265 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: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -49.298723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.298723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.298723 (E_RNA) where: Base-Base interactions energy: -20.066 where: short stacking energy: -9.446 Base-Backbone interact. energy: -0.018 local terms energy: -29.214817 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -4.774 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: 8, replica: 10 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -50.248239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.248239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.248239 (E_RNA) where: Base-Base interactions energy: -14.534 where: short stacking energy: -14.534 Base-Backbone interact. energy: -0.001 local terms energy: -35.712954 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -6.850 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: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -45.028284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.028284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.028284 (E_RNA) where: Base-Base interactions energy: -15.381 where: short stacking energy: -15.381 Base-Backbone interact. energy: -0.003 local terms energy: -29.644910 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -2.825 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: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -46.560422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.560422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.560422 (E_RNA) where: Base-Base interactions energy: -14.116 where: short stacking energy: -14.285 Base-Backbone interact. energy: -0.001 local terms energy: -32.443306 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -6.666 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -64.483606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.483606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.483606 (E_RNA) where: Base-Base interactions energy: -32.998 where: short stacking energy: -25.152 Base-Backbone interact. energy: -0.074 local terms energy: -31.412145 where: bonds (distance) C4'-P energy: -3.246 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -6.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -63.779687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.779687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.779687 (E_RNA) where: Base-Base interactions energy: -31.517 where: short stacking energy: -18.275 Base-Backbone interact. energy: -0.100 local terms energy: -32.162332 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -8.104 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -61.385141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.385141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.385141 (E_RNA) where: Base-Base interactions energy: -28.716 where: short stacking energy: -17.878 Base-Backbone interact. energy: -1.156 local terms energy: -31.512852 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -7.044 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: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -53.736297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.736297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.736297 (E_RNA) where: Base-Base interactions energy: -23.294 where: short stacking energy: -18.596 Base-Backbone interact. energy: 0.911 local terms energy: -31.353818 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -4.042 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: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -57.708486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.708486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.708486 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.000 local terms energy: -30.521614 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -6.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -42.572042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.572042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.572042 (E_RNA) where: Base-Base interactions energy: -17.994 where: short stacking energy: -17.994 Base-Backbone interact. energy: -0.063 local terms energy: -24.515660 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -50.629682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.629682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.629682 (E_RNA) where: Base-Base interactions energy: -17.313 where: short stacking energy: -17.313 Base-Backbone interact. energy: -0.050 local terms energy: -33.266476 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -6.294 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: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -51.290973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.290973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.290973 (E_RNA) where: Base-Base interactions energy: -19.916 where: short stacking energy: -15.760 Base-Backbone interact. energy: -0.033 local terms energy: -31.342164 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -44.386711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.386711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.386711 (E_RNA) where: Base-Base interactions energy: -17.074 where: short stacking energy: -17.074 Base-Backbone interact. energy: -0.085 local terms energy: -27.227720 where: bonds (distance) C4'-P energy: -2.120 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -42.915099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.915099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.915099 (E_RNA) where: Base-Base interactions energy: -20.494 where: short stacking energy: -15.456 Base-Backbone interact. energy: -0.004 local terms energy: -22.417691 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -69.910466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.910466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.910466 (E_RNA) where: Base-Base interactions energy: -40.631 where: short stacking energy: -25.075 Base-Backbone interact. energy: -0.009 local terms energy: -29.270291 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -1.211 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -66.040037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.040037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.040037 (E_RNA) where: Base-Base interactions energy: -29.126 where: short stacking energy: -29.126 Base-Backbone interact. energy: -0.000 local terms energy: -36.914516 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -7.589 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: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -69.869738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.869738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.869738 (E_RNA) where: Base-Base interactions energy: -36.382 where: short stacking energy: -22.603 Base-Backbone interact. energy: -0.000 local terms energy: -33.487774 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -6.279 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: 4, replica: 1 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -58.831380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.831380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.831380 (E_RNA) where: Base-Base interactions energy: -24.294 where: short stacking energy: -20.441 Base-Backbone interact. energy: -0.001 local terms energy: -34.536749 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -6.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -49.110843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.110843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.110843 (E_RNA) where: Base-Base interactions energy: -20.596 where: short stacking energy: -20.596 Base-Backbone interact. energy: -0.018 local terms energy: -28.496623 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -6.565 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: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -55.285070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.285070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.285070 (E_RNA) where: Base-Base interactions energy: -22.075 where: short stacking energy: -22.075 Base-Backbone interact. energy: -0.043 local terms energy: -33.166258 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -45.898593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.898593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.898593 (E_RNA) where: Base-Base interactions energy: -16.855 where: short stacking energy: -13.999 Base-Backbone interact. energy: -0.027 local terms energy: -29.016658 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.989 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -6.198 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: 8, replica: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -45.583703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.583703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.583703 (E_RNA) where: Base-Base interactions energy: -15.594 where: short stacking energy: -15.594 Base-Backbone interact. energy: -0.000 local terms energy: -29.989828 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -48.113033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.113033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.113033 (E_RNA) where: Base-Base interactions energy: -19.139 where: short stacking energy: -18.723 Base-Backbone interact. energy: -0.002 local terms energy: -28.972073 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -43.904502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.904502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.904502 (E_RNA) where: Base-Base interactions energy: -17.049 where: short stacking energy: -15.113 Base-Backbone interact. energy: -0.002 local terms energy: -26.854029 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -1.826 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -65.184854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.184854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.184854 (E_RNA) where: Base-Base interactions energy: -33.691 where: short stacking energy: -23.863 Base-Backbone interact. energy: -0.002 local terms energy: -31.491714 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -8.911 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -2.334 tors. eta vs tors. theta energy: -5.526 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: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -65.843065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.843065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.843065 (E_RNA) where: Base-Base interactions energy: -31.001 where: short stacking energy: -24.939 Base-Backbone interact. energy: -0.005 local terms energy: -34.837220 where: bonds (distance) C4'-P energy: -6.251 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -5.414 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: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -60.396129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.396129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.396129 (E_RNA) where: Base-Base interactions energy: -31.889 where: short stacking energy: -21.675 Base-Backbone interact. energy: -0.003 local terms energy: -28.503897 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -4.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -58.423274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.423274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.423274 (E_RNA) where: Base-Base interactions energy: -29.641 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.123 local terms energy: -28.659810 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -1.596 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: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -62.513935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.513935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.513935 (E_RNA) where: Base-Base interactions energy: -23.606 where: short stacking energy: -23.606 Base-Backbone interact. energy: -0.000 local terms energy: -38.907762 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -7.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -49.653432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.653432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.653432 (E_RNA) where: Base-Base interactions energy: -19.616 where: short stacking energy: -19.616 Base-Backbone interact. energy: -0.100 local terms energy: -29.937902 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.861 flat angles P-C4'-P energy: -2.211 tors. eta vs tors. theta energy: -5.965 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: 7, replica: 5 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -49.422597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.422597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.422597 (E_RNA) where: Base-Base interactions energy: -21.380 where: short stacking energy: -21.380 Base-Backbone interact. energy: -0.003 local terms energy: -28.040142 where: bonds (distance) C4'-P energy: -5.460 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -47.977962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.977962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.977962 (E_RNA) where: Base-Base interactions energy: -17.349 where: short stacking energy: -17.349 Base-Backbone interact. energy: -0.004 local terms energy: -30.625068 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.714 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: 9, replica: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -42.555128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.555128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.555128 (E_RNA) where: Base-Base interactions energy: -16.438 where: short stacking energy: -16.345 Base-Backbone interact. energy: -0.577 local terms energy: -25.540125 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -41.923378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.923378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.923378 (E_RNA) where: Base-Base interactions energy: -12.153 where: short stacking energy: -11.250 Base-Backbone interact. energy: -0.192 local terms energy: -29.578502 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -9.087 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -65.553759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.553759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.553759 (E_RNA) where: Base-Base interactions energy: -28.977 where: short stacking energy: -28.977 Base-Backbone interact. energy: -0.000 local terms energy: -36.577003 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -76.061799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.061799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.061799 (E_RNA) where: Base-Base interactions energy: -39.696 where: short stacking energy: -26.520 Base-Backbone interact. energy: -0.166 local terms energy: -36.199611 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -7.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -57.332597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.332597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.332597 (E_RNA) where: Base-Base interactions energy: -25.660 where: short stacking energy: -25.660 Base-Backbone interact. energy: -0.003 local terms energy: -31.669912 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -9.138 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -52.015940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.015940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.015940 (E_RNA) where: Base-Base interactions energy: -23.315 where: short stacking energy: -23.315 Base-Backbone interact. energy: -0.001 local terms energy: -28.700249 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -2.291 flat angles P-C4'-P energy: -5.876 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: 5, replica: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -62.283947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.283947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.283947 (E_RNA) where: Base-Base interactions energy: -31.905 where: short stacking energy: -18.605 Base-Backbone interact. energy: -0.087 local terms energy: -30.291771 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -3.891 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: 6, replica: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -51.535371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.535371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.535371 (E_RNA) where: Base-Base interactions energy: -22.790 where: short stacking energy: -20.863 Base-Backbone interact. energy: -0.303 local terms energy: -28.443007 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -49.126033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.126033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.126033 (E_RNA) where: Base-Base interactions energy: -18.834 where: short stacking energy: -18.834 Base-Backbone interact. energy: 0.013 local terms energy: -30.305397 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -49.857758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.857758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.857758 (E_RNA) where: Base-Base interactions energy: -18.874 where: short stacking energy: -17.471 Base-Backbone interact. energy: -0.035 local terms energy: -30.948322 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -4.502 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: 302 Temperature: 1.300000 Total energy: -49.733157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.733157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.733157 (E_RNA) where: Base-Base interactions energy: -16.801 where: short stacking energy: -16.801 Base-Backbone interact. energy: -0.011 local terms energy: -32.921486 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -40.448328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.448328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.448328 (E_RNA) where: Base-Base interactions energy: -14.364 where: short stacking energy: -13.288 Base-Backbone interact. energy: -0.042 local terms energy: -26.042444 where: bonds (distance) C4'-P energy: -7.050 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -76.208925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.208925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.208925 (E_RNA) where: Base-Base interactions energy: -37.194 where: short stacking energy: -37.194 Base-Backbone interact. energy: -0.000 local terms energy: -39.014529 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -73.964216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.964216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.964216 (E_RNA) where: Base-Base interactions energy: -41.317 where: short stacking energy: -30.737 Base-Backbone interact. energy: -0.070 local terms energy: -32.577331 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -62.202744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.202744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.202744 (E_RNA) where: Base-Base interactions energy: -24.826 where: short stacking energy: -24.826 Base-Backbone interact. energy: -0.003 local terms energy: -37.373936 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.841 flat angles P-C4'-P energy: -6.856 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: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -55.958564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.958564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.958564 (E_RNA) where: Base-Base interactions energy: -23.784 where: short stacking energy: -22.078 Base-Backbone interact. energy: -0.010 local terms energy: -32.165079 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -5.894 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: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -51.193471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.193471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.193471 (E_RNA) where: Base-Base interactions energy: -23.434 where: short stacking energy: -23.434 Base-Backbone interact. energy: -0.005 local terms energy: -27.754620 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -3.680 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -4.853 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: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -56.818575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.818575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.818575 (E_RNA) where: Base-Base interactions energy: -29.480 where: short stacking energy: -17.004 Base-Backbone interact. energy: -0.019 local terms energy: -27.318992 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -6.044 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: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -46.245789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.245789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.245789 (E_RNA) where: Base-Base interactions energy: -22.676 where: short stacking energy: -20.671 Base-Backbone interact. energy: -0.146 local terms energy: -23.423176 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.272 flat angles P-C4'-P energy: -5.782 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: 8, replica: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -46.260508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.260508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.260508 (E_RNA) where: Base-Base interactions energy: -19.617 where: short stacking energy: -14.728 Base-Backbone interact. energy: -1.001 local terms energy: -25.642685 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -2.818 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -42.725848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.725848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.725848 (E_RNA) where: Base-Base interactions energy: -13.750 where: short stacking energy: -14.055 Base-Backbone interact. energy: -0.001 local terms energy: -28.975279 where: bonds (distance) C4'-P energy: -4.949 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -1.742 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -37.962867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.962867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.962867 (E_RNA) where: Base-Base interactions energy: -13.915 where: short stacking energy: -13.915 Base-Backbone interact. energy: -0.101 local terms energy: -23.947430 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: 0.784 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: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -73.183825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.183825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.183825 (E_RNA) where: Base-Base interactions energy: -35.244 where: short stacking energy: -34.584 Base-Backbone interact. energy: -0.000 local terms energy: -37.939547 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -9.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -57.000610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.000610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.000610 (E_RNA) where: Base-Base interactions energy: -22.070 where: short stacking energy: -22.070 Base-Backbone interact. energy: -0.100 local terms energy: -34.830539 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.153 flat angles C4'-P-C4' energy: -8.007 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -8.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -60.131791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.131791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.131791 (E_RNA) where: Base-Base interactions energy: -25.494 where: short stacking energy: -25.494 Base-Backbone interact. energy: -0.000 local terms energy: -34.637467 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -9.481 flat angles P-C4'-P energy: -4.009 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: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -52.113933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.113933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.113933 (E_RNA) where: Base-Base interactions energy: -18.932 where: short stacking energy: -18.067 Base-Backbone interact. energy: -0.090 local terms energy: -33.092288 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -51.753007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.753007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.753007 (E_RNA) where: Base-Base interactions energy: -20.082 where: short stacking energy: -20.082 Base-Backbone interact. energy: -0.000 local terms energy: -31.670765 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -6.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -57.132513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.132513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.132513 (E_RNA) where: Base-Base interactions energy: -24.840 where: short stacking energy: -24.840 Base-Backbone interact. energy: -0.006 local terms energy: -32.285763 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -7.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -46.100478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.100478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.100478 (E_RNA) where: Base-Base interactions energy: -19.905 where: short stacking energy: -19.535 Base-Backbone interact. energy: -0.169 local terms energy: -26.027193 where: bonds (distance) C4'-P energy: -4.596 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -45.432413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.432413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.432413 (E_RNA) where: Base-Base interactions energy: -19.095 where: short stacking energy: -18.601 Base-Backbone interact. energy: -0.058 local terms energy: -26.278828 where: bonds (distance) C4'-P energy: -5.045 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -4.715 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -41.087742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.087742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.087742 (E_RNA) where: Base-Base interactions energy: -8.978 where: short stacking energy: -8.978 Base-Backbone interact. energy: -0.002 local terms energy: -32.107739 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -6.605 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: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -42.129294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.129294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.129294 (E_RNA) where: Base-Base interactions energy: -17.245 where: short stacking energy: -13.180 Base-Backbone interact. energy: 0.871 local terms energy: -25.756177 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -5.399 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: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -63.991927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.991927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.991927 (E_RNA) where: Base-Base interactions energy: -28.347 where: short stacking energy: -28.347 Base-Backbone interact. energy: -0.000 local terms energy: -35.644657 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -8.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -61.776034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.776034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.776034 (E_RNA) where: Base-Base interactions energy: -25.202 where: short stacking energy: -25.202 Base-Backbone interact. energy: -0.007 local terms energy: -36.566473 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -7.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -55.685532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.685532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.685532 (E_RNA) where: Base-Base interactions energy: -20.991 where: short stacking energy: -20.991 Base-Backbone interact. energy: -0.023 local terms energy: -34.672232 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -2.495 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: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -57.193323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.193323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.193323 (E_RNA) where: Base-Base interactions energy: -25.909 where: short stacking energy: -25.909 Base-Backbone interact. energy: -0.000 local terms energy: -31.283748 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -5.778 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: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -49.866525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.866525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.866525 (E_RNA) where: Base-Base interactions energy: -21.340 where: short stacking energy: -16.746 Base-Backbone interact. energy: -0.126 local terms energy: -28.400390 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -44.244712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.244712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.244712 (E_RNA) where: Base-Base interactions energy: -12.597 where: short stacking energy: -12.597 Base-Backbone interact. energy: -0.044 local terms energy: -31.604488 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -45.847435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.847435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.847435 (E_RNA) where: Base-Base interactions energy: -14.102 where: short stacking energy: -14.102 Base-Backbone interact. energy: -0.061 local terms energy: -31.684311 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -6.580 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -42.658857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.658857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.658857 (E_RNA) where: Base-Base interactions energy: -15.990 where: short stacking energy: -15.990 Base-Backbone interact. energy: -0.015 local terms energy: -26.654691 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -3.131 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: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -42.964291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.964291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.964291 (E_RNA) where: Base-Base interactions energy: -15.512 where: short stacking energy: -15.512 Base-Backbone interact. energy: 0.049 local terms energy: -27.500949 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -44.651466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.651466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.651466 (E_RNA) where: Base-Base interactions energy: -21.127 where: short stacking energy: -21.127 Base-Backbone interact. energy: 0.830 local terms energy: -24.354017 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: 0.100 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -64.434563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.434563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.434563 (E_RNA) where: Base-Base interactions energy: -30.508 where: short stacking energy: -23.287 Base-Backbone interact. energy: -0.394 local terms energy: -33.532660 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -4.694 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: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -63.289763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.289763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.289763 (E_RNA) where: Base-Base interactions energy: -27.202 where: short stacking energy: -23.155 Base-Backbone interact. energy: -0.001 local terms energy: -36.087128 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.904 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -5.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -51.674826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.674826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.674826 (E_RNA) where: Base-Base interactions energy: -19.033 where: short stacking energy: -13.797 Base-Backbone interact. energy: -0.022 local terms energy: -32.619189 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -51.815074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.815074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.815074 (E_RNA) where: Base-Base interactions energy: -22.881 where: short stacking energy: -22.881 Base-Backbone interact. energy: -0.029 local terms energy: -28.904663 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -2.155 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: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -51.722093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.722093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.722093 (E_RNA) where: Base-Base interactions energy: -23.398 where: short stacking energy: -23.598 Base-Backbone interact. energy: -0.025 local terms energy: -28.298904 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -5.925 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -5.790 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: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -51.770146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.770146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.770146 (E_RNA) where: Base-Base interactions energy: -20.608 where: short stacking energy: -20.608 Base-Backbone interact. energy: -0.009 local terms energy: -31.152525 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -5.781 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -5.748 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: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -43.361132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.361132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.361132 (E_RNA) where: Base-Base interactions energy: -13.598 where: short stacking energy: -13.598 Base-Backbone interact. energy: -0.153 local terms energy: -29.609874 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -45.299837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.299837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.299837 (E_RNA) where: Base-Base interactions energy: -16.607 where: short stacking energy: -16.607 Base-Backbone interact. energy: -0.224 local terms energy: -28.468603 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -41.315878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.315878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.315878 (E_RNA) where: Base-Base interactions energy: -16.133 where: short stacking energy: -16.133 Base-Backbone interact. energy: -0.017 local terms energy: -25.165696 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -3.563 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: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -44.110589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.110589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.110589 (E_RNA) where: Base-Base interactions energy: -18.739 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.211 local terms energy: -25.160424 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: 0.186 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: 4 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -77.335695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.335695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.335695 (E_RNA) where: Base-Base interactions energy: -40.067 where: short stacking energy: -28.670 Base-Backbone interact. energy: -0.907 local terms energy: -36.361695 where: bonds (distance) C4'-P energy: -6.308 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -8.595 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: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -63.116152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.116152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.116152 (E_RNA) where: Base-Base interactions energy: -33.379 where: short stacking energy: -14.972 Base-Backbone interact. energy: -0.117 local terms energy: -29.619756 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -3.920 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: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -66.669795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.669795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.669795 (E_RNA) where: Base-Base interactions energy: -33.349 where: short stacking energy: -27.650 Base-Backbone interact. energy: -0.083 local terms energy: -33.237593 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -0.594 tors. eta vs tors. theta energy: -7.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -54.925894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.925894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.925894 (E_RNA) where: Base-Base interactions energy: -21.644 where: short stacking energy: -20.774 Base-Backbone interact. energy: -0.003 local terms energy: -33.279217 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -5.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -52.475510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.475510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.475510 (E_RNA) where: Base-Base interactions energy: -18.539 where: short stacking energy: -18.539 Base-Backbone interact. energy: -0.000 local terms energy: -33.936359 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -49.289511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.289511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.289511 (E_RNA) where: Base-Base interactions energy: -21.250 where: short stacking energy: -17.047 Base-Backbone interact. energy: -0.069 local terms energy: -27.971369 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -1.135 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -45.073458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.073458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.073458 (E_RNA) where: Base-Base interactions energy: -16.809 where: short stacking energy: -16.263 Base-Backbone interact. energy: -0.077 local terms energy: -28.187053 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -51.076696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.076696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.076696 (E_RNA) where: Base-Base interactions energy: -21.518 where: short stacking energy: -21.518 Base-Backbone interact. energy: -0.068 local terms energy: -29.491270 where: bonds (distance) C4'-P energy: -5.457 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -1.672 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: 9, replica: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -47.394976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.394976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.394976 (E_RNA) where: Base-Base interactions energy: -16.960 where: short stacking energy: -16.960 Base-Backbone interact. energy: -0.047 local terms energy: -30.388945 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -39.382588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.382588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.382588 (E_RNA) where: Base-Base interactions energy: -8.919 where: short stacking energy: -8.919 Base-Backbone interact. energy: -0.009 local terms energy: -30.454994 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -78.181395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.181395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.181395 (E_RNA) where: Base-Base interactions energy: -46.500 where: short stacking energy: -24.147 Base-Backbone interact. energy: -0.105 local terms energy: -31.576238 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -6.408 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -74.756033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.756033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.756033 (E_RNA) where: Base-Base interactions energy: -39.182 where: short stacking energy: -22.957 Base-Backbone interact. energy: -0.100 local terms energy: -35.474707 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -4.731 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: 3, replica: 10 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -55.404879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.404879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.404879 (E_RNA) where: Base-Base interactions energy: -23.952 where: short stacking energy: -20.368 Base-Backbone interact. energy: -0.030 local terms energy: -31.422671 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -64.106055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.106055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.106055 (E_RNA) where: Base-Base interactions energy: -27.748 where: short stacking energy: -22.014 Base-Backbone interact. energy: -0.073 local terms energy: -36.284621 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -8.488 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -6.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -53.616013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.616013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.616013 (E_RNA) where: Base-Base interactions energy: -21.288 where: short stacking energy: -21.288 Base-Backbone interact. energy: -0.041 local terms energy: -32.287320 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.579 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -47.165828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.165828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.165828 (E_RNA) where: Base-Base interactions energy: -18.133 where: short stacking energy: -14.942 Base-Backbone interact. energy: -0.131 local terms energy: -28.901537 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -52.863292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.863292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.863292 (E_RNA) where: Base-Base interactions energy: -26.610 where: short stacking energy: -19.226 Base-Backbone interact. energy: -0.001 local terms energy: -26.251438 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -2.073 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -45.676532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.676532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.676532 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -17.835 Base-Backbone interact. energy: -0.057 local terms energy: -27.784416 where: bonds (distance) C4'-P energy: -7.175 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -4.347 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -41.785526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.785526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.785526 (E_RNA) where: Base-Base interactions energy: -16.614 where: short stacking energy: -10.346 Base-Backbone interact. energy: -0.369 local terms energy: -24.802212 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: 2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -39.873846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.873846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.873846 (E_RNA) where: Base-Base interactions energy: -15.309 where: short stacking energy: -14.396 Base-Backbone interact. energy: -0.004 local terms energy: -24.561297 where: bonds (distance) C4'-P energy: -5.182 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -2.217 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: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -80.943357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.943357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.943357 (E_RNA) where: Base-Base interactions energy: -43.419 where: short stacking energy: -25.935 Base-Backbone interact. energy: -0.052 local terms energy: -37.472046 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -8.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -65.438763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.438763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.438763 (E_RNA) where: Base-Base interactions energy: -30.483 where: short stacking energy: -25.040 Base-Backbone interact. energy: -0.010 local terms energy: -34.945843 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -7.305 flat angles P-C4'-P energy: -6.800 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -69.011533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.011533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.011533 (E_RNA) where: Base-Base interactions energy: -41.399 where: short stacking energy: -19.021 Base-Backbone interact. energy: -0.036 local terms energy: -27.576228 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -6.011 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -5.312 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: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -62.023673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.023673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.023673 (E_RNA) where: Base-Base interactions energy: -30.755 where: short stacking energy: -21.755 Base-Backbone interact. energy: -0.078 local terms energy: -31.191012 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -5.276 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: 5, replica: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -54.562334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.562334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.562334 (E_RNA) where: Base-Base interactions energy: -21.900 where: short stacking energy: -21.900 Base-Backbone interact. energy: 0.470 local terms energy: -33.132292 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -6.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -64.858585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.858585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.858585 (E_RNA) where: Base-Base interactions energy: -26.695 where: short stacking energy: -26.695 Base-Backbone interact. energy: -0.000 local terms energy: -38.163730 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -9.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -45.257136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.257136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.257136 (E_RNA) where: Base-Base interactions energy: -16.025 where: short stacking energy: -16.025 Base-Backbone interact. energy: -0.002 local terms energy: -29.230175 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -42.777752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.777752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.777752 (E_RNA) where: Base-Base interactions energy: -15.962 where: short stacking energy: -15.962 Base-Backbone interact. energy: -0.234 local terms energy: -26.582401 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.435 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: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -40.996366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.996366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.996366 (E_RNA) where: Base-Base interactions energy: -14.729 where: short stacking energy: -14.729 Base-Backbone interact. energy: -0.000 local terms energy: -26.267217 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -1.894 tors. eta vs tors. theta energy: -4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -42.510091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.510091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.510091 (E_RNA) where: Base-Base interactions energy: -13.824 where: short stacking energy: -13.398 Base-Backbone interact. energy: -0.166 local terms energy: -28.519705 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -3.263 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: 1, replica: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -77.775182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.775182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.775182 (E_RNA) where: Base-Base interactions energy: -40.899 where: short stacking energy: -27.702 Base-Backbone interact. energy: -0.000 local terms energy: -36.875697 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -6.568 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: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -63.204925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.204925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.204925 (E_RNA) where: Base-Base interactions energy: -31.704 where: short stacking energy: -24.131 Base-Backbone interact. energy: -0.107 local terms energy: -31.394157 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -66.862730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.862730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.862730 (E_RNA) where: Base-Base interactions energy: -29.523 where: short stacking energy: -29.523 Base-Backbone interact. energy: -0.000 local terms energy: -37.340118 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -4.945 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: 4, replica: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -58.686277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.686277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.686277 (E_RNA) where: Base-Base interactions energy: -23.119 where: short stacking energy: -21.365 Base-Backbone interact. energy: -0.032 local terms energy: -35.535281 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -6.143 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: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -53.151671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.151671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.151671 (E_RNA) where: Base-Base interactions energy: -26.358 where: short stacking energy: -22.459 Base-Backbone interact. energy: 0.607 local terms energy: -27.401059 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -5.474 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -52.369862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.369862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.369862 (E_RNA) where: Base-Base interactions energy: -22.983 where: short stacking energy: -22.983 Base-Backbone interact. energy: -0.020 local terms energy: -29.366835 where: bonds (distance) C4'-P energy: -4.002 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -42.951532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.951532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.951532 (E_RNA) where: Base-Base interactions energy: -14.983 where: short stacking energy: -14.983 Base-Backbone interact. energy: -0.475 local terms energy: -27.493830 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -5.502 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -50.323767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.323767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.323767 (E_RNA) where: Base-Base interactions energy: -25.910 where: short stacking energy: -25.910 Base-Backbone interact. energy: -0.000 local terms energy: -24.413879 where: bonds (distance) C4'-P energy: -3.419 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -4.347 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -40.560184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.560184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.560184 (E_RNA) where: Base-Base interactions energy: -15.514 where: short stacking energy: -12.628 Base-Backbone interact. energy: -0.984 local terms energy: -24.061993 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -4.061 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: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -44.755798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.755798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.755798 (E_RNA) where: Base-Base interactions energy: -14.758 where: short stacking energy: -14.758 Base-Backbone interact. energy: -0.027 local terms energy: -29.970336 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -60.121742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.121742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.121742 (E_RNA) where: Base-Base interactions energy: -23.954 where: short stacking energy: -23.954 Base-Backbone interact. energy: -0.023 local terms energy: -36.144089 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -8.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -59.195237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.195237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.195237 (E_RNA) where: Base-Base interactions energy: -22.327 where: short stacking energy: -22.327 Base-Backbone interact. energy: -0.000 local terms energy: -36.867638 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -6.943 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: 3, replica: 10 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -69.364954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.364954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.364954 (E_RNA) where: Base-Base interactions energy: -35.888 where: short stacking energy: -24.667 Base-Backbone interact. energy: -0.006 local terms energy: -33.471424 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -6.150 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: 4, replica: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -55.924353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.924353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.924353 (E_RNA) where: Base-Base interactions energy: -23.386 where: short stacking energy: -23.386 Base-Backbone interact. energy: -0.672 local terms energy: -31.866820 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -48.953915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.953915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.953915 (E_RNA) where: Base-Base interactions energy: -25.835 where: short stacking energy: -24.411 Base-Backbone interact. energy: -0.002 local terms energy: -23.117255 where: bonds (distance) C4'-P energy: -2.045 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -46.767390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.767390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.767390 (E_RNA) where: Base-Base interactions energy: -19.120 where: short stacking energy: -10.381 Base-Backbone interact. energy: -0.096 local terms energy: -27.551405 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -5.893 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: 7 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -49.165621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.165621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.165621 (E_RNA) where: Base-Base interactions energy: -16.205 where: short stacking energy: -16.205 Base-Backbone interact. energy: -0.001 local terms energy: -32.959149 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.971 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -42.010683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.010683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.010683 (E_RNA) where: Base-Base interactions energy: -17.485 where: short stacking energy: -17.065 Base-Backbone interact. energy: -0.063 local terms energy: -24.463372 where: bonds (distance) C4'-P energy: -7.617 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.106 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: 8 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -45.623209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.623209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.623209 (E_RNA) where: Base-Base interactions energy: -13.946 where: short stacking energy: -13.946 Base-Backbone interact. energy: -0.680 local terms energy: -30.996993 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -40.830261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.830261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.830261 (E_RNA) where: Base-Base interactions energy: -10.133 where: short stacking energy: -10.133 Base-Backbone interact. energy: -0.039 local terms energy: -30.658807 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: 0.412 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: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -68.965697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.965697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.965697 (E_RNA) where: Base-Base interactions energy: -34.454 where: short stacking energy: -25.560 Base-Backbone interact. energy: -0.253 local terms energy: -34.258952 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -66.586728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.586728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.586728 (E_RNA) where: Base-Base interactions energy: -27.494 where: short stacking energy: -27.494 Base-Backbone interact. energy: -0.033 local terms energy: -39.059889 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -6.189 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: 3, replica: 10 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -58.609046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.609046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.609046 (E_RNA) where: Base-Base interactions energy: -28.715 where: short stacking energy: -21.787 Base-Backbone interact. energy: -0.007 local terms energy: -29.886857 where: bonds (distance) C4'-P energy: -7.303 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -55.303622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.303622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.303622 (E_RNA) where: Base-Base interactions energy: -21.106 where: short stacking energy: -20.487 Base-Backbone interact. energy: -0.034 local terms energy: -34.164321 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -52.115769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.115769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.115769 (E_RNA) where: Base-Base interactions energy: -25.831 where: short stacking energy: -25.831 Base-Backbone interact. energy: -0.103 local terms energy: -26.181575 where: bonds (distance) C4'-P energy: -5.203 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -48.697458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.697458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.697458 (E_RNA) where: Base-Base interactions energy: -18.761 where: short stacking energy: -18.761 Base-Backbone interact. energy: -0.000 local terms energy: -29.936330 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -6.599 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: 2 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -48.411675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.411675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.411675 (E_RNA) where: Base-Base interactions energy: -20.650 where: short stacking energy: -20.549 Base-Backbone interact. energy: -0.028 local terms energy: -27.734159 where: bonds (distance) C4'-P energy: -4.198 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.208 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: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -42.984309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.984309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.984309 (E_RNA) where: Base-Base interactions energy: -12.991 where: short stacking energy: -12.991 Base-Backbone interact. energy: -0.054 local terms energy: -29.939437 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.555 flat angles P-C4'-P energy: -4.806 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: 9, replica: 8 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -44.854725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.854725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.854725 (E_RNA) where: Base-Base interactions energy: -15.462 where: short stacking energy: -15.462 Base-Backbone interact. energy: -0.000 local terms energy: -29.393077 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -39.921714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.921714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.921714 (E_RNA) where: Base-Base interactions energy: -14.129 where: short stacking energy: -12.763 Base-Backbone interact. energy: -0.110 local terms energy: -25.682295 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -2.939 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -64.942127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.942127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.942127 (E_RNA) where: Base-Base interactions energy: -25.835 where: short stacking energy: -25.835 Base-Backbone interact. energy: 0.345 local terms energy: -39.452697 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -9.001 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: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -63.198669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.198669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.198669 (E_RNA) where: Base-Base interactions energy: -28.214 where: short stacking energy: -28.080 Base-Backbone interact. energy: -0.002 local terms energy: -34.983365 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -6.044 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: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -65.254702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.254702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.254702 (E_RNA) where: Base-Base interactions energy: -31.556 where: short stacking energy: -31.556 Base-Backbone interact. energy: -0.035 local terms energy: -33.664173 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -8.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -61.008379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.008379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.008379 (E_RNA) where: Base-Base interactions energy: -27.259 where: short stacking energy: -27.659 Base-Backbone interact. energy: -0.181 local terms energy: -33.568943 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -62.353215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.353215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.353215 (E_RNA) where: Base-Base interactions energy: -28.951 where: short stacking energy: -22.515 Base-Backbone interact. energy: -0.000 local terms energy: -33.401845 where: bonds (distance) C4'-P energy: -5.886 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -5.257 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: 6, replica: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -56.770984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.770984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.770984 (E_RNA) where: Base-Base interactions energy: -23.775 where: short stacking energy: -23.775 Base-Backbone interact. energy: -0.043 local terms energy: -32.952332 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -46.733083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.733083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.733083 (E_RNA) where: Base-Base interactions energy: -15.741 where: short stacking energy: -15.741 Base-Backbone interact. energy: -0.003 local terms energy: -30.989264 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -3.222 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: 8, replica: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -42.018502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.018502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.018502 (E_RNA) where: Base-Base interactions energy: -18.311 where: short stacking energy: -14.959 Base-Backbone interact. energy: 2.207 local terms energy: -25.913864 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -44.701739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.701739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.701739 (E_RNA) where: Base-Base interactions energy: -16.410 where: short stacking energy: -15.327 Base-Backbone interact. energy: -0.002 local terms energy: -28.289612 where: bonds (distance) C4'-P energy: -6.884 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -3.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -46.229627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.229627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.229627 (E_RNA) where: Base-Base interactions energy: -18.669 where: short stacking energy: -18.669 Base-Backbone interact. energy: -0.058 local terms energy: -27.502718 where: bonds (distance) C4'-P energy: -1.392 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -6.952 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -61.813562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.813562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.813562 (E_RNA) where: Base-Base interactions energy: -27.069 where: short stacking energy: -27.069 Base-Backbone interact. energy: -0.097 local terms energy: -34.647527 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -5.518 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: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -55.481741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.481741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.481741 (E_RNA) where: Base-Base interactions energy: -21.978 where: short stacking energy: -21.978 Base-Backbone interact. energy: 0.307 local terms energy: -33.811357 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -68.346475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.346475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.346475 (E_RNA) where: Base-Base interactions energy: -29.834 where: short stacking energy: -29.834 Base-Backbone interact. energy: -0.001 local terms energy: -38.511638 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -6.408 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: 4, replica: 5 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -50.755842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.755842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.755842 (E_RNA) where: Base-Base interactions energy: -18.402 where: short stacking energy: -14.357 Base-Backbone interact. energy: 0.394 local terms energy: -32.747988 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -48.360904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.360904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.360904 (E_RNA) where: Base-Base interactions energy: -17.892 where: short stacking energy: -17.892 Base-Backbone interact. energy: -0.004 local terms energy: -30.464634 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -61.422138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.422138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.422138 (E_RNA) where: Base-Base interactions energy: -28.627 where: short stacking energy: -24.459 Base-Backbone interact. energy: -0.000 local terms energy: -32.794593 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -5.203 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: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -47.000938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.000938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.000938 (E_RNA) where: Base-Base interactions energy: -19.105 where: short stacking energy: -18.367 Base-Backbone interact. energy: -0.020 local terms energy: -27.875678 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -46.155624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.155624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.155624 (E_RNA) where: Base-Base interactions energy: -16.239 where: short stacking energy: -16.239 Base-Backbone interact. energy: -0.005 local terms energy: -29.910711 where: bonds (distance) C4'-P energy: -6.477 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -38.551946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.551946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.551946 (E_RNA) where: Base-Base interactions energy: -15.630 where: short stacking energy: -15.630 Base-Backbone interact. energy: -0.089 local terms energy: -22.833123 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -37.718561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.718561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.718561 (E_RNA) where: Base-Base interactions energy: -11.255 where: short stacking energy: -7.396 Base-Backbone interact. energy: -0.000 local terms energy: -26.463595 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -0.898 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -58.542980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.542980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.542980 (E_RNA) where: Base-Base interactions energy: -26.939 where: short stacking energy: -26.939 Base-Backbone interact. energy: -0.000 local terms energy: -31.603580 where: bonds (distance) C4'-P energy: -6.694 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -6.456 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: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -59.703154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.703154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.703154 (E_RNA) where: Base-Base interactions energy: -22.812 where: short stacking energy: -22.812 Base-Backbone interact. energy: -0.000 local terms energy: -36.890472 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -6.893 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: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -58.085244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.085244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.085244 (E_RNA) where: Base-Base interactions energy: -26.406 where: short stacking energy: -26.406 Base-Backbone interact. energy: -0.000 local terms energy: -31.678647 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -63.423156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.423156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.423156 (E_RNA) where: Base-Base interactions energy: -29.534 where: short stacking energy: -21.883 Base-Backbone interact. energy: 0.148 local terms energy: -34.037705 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -7.211 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -59.132694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.132694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.132694 (E_RNA) where: Base-Base interactions energy: -23.556 where: short stacking energy: -23.556 Base-Backbone interact. energy: -0.123 local terms energy: -35.452952 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -5.027 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: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -43.835575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.835575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.835575 (E_RNA) where: Base-Base interactions energy: -19.813 where: short stacking energy: -18.689 Base-Backbone interact. energy: -0.003 local terms energy: -24.019475 where: bonds (distance) C4'-P energy: -2.944 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -46.689324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.689324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.689324 (E_RNA) where: Base-Base interactions energy: -18.527 where: short stacking energy: -14.828 Base-Backbone interact. energy: -1.537 local terms energy: -26.625656 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -1.748 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -44.370579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.370579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.370579 (E_RNA) where: Base-Base interactions energy: -16.465 where: short stacking energy: -14.363 Base-Backbone interact. energy: -0.187 local terms energy: -27.718107 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -2.892 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -3.731 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: 4 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -44.820607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.820607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.820607 (E_RNA) where: Base-Base interactions energy: -22.027 where: short stacking energy: -22.027 Base-Backbone interact. energy: -0.049 local terms energy: -22.744841 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -3.319 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -2.837 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: 10, replica: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -45.166415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.166415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.166415 (E_RNA) where: Base-Base interactions energy: -19.145 where: short stacking energy: -17.161 Base-Backbone interact. energy: 1.058 local terms energy: -27.079726 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -66.558464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.558464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.558464 (E_RNA) where: Base-Base interactions energy: -29.655 where: short stacking energy: -23.174 Base-Backbone interact. energy: -0.036 local terms energy: -36.867778 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -6.198 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: 2, replica: 10 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -63.766107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.766107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.766107 (E_RNA) where: Base-Base interactions energy: -31.116 where: short stacking energy: -31.116 Base-Backbone interact. energy: -0.076 local terms energy: -32.574379 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -8.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -56.519689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.519689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.519689 (E_RNA) where: Base-Base interactions energy: -20.796 where: short stacking energy: -20.796 Base-Backbone interact. energy: -0.068 local terms energy: -35.655854 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -6.637 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: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -52.635620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.635620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.635620 (E_RNA) where: Base-Base interactions energy: -24.616 where: short stacking energy: -18.842 Base-Backbone interact. energy: -0.126 local terms energy: -27.893269 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -2.551 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: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -58.776969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.776969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.776969 (E_RNA) where: Base-Base interactions energy: -25.619 where: short stacking energy: -25.619 Base-Backbone interact. energy: -0.001 local terms energy: -33.157019 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -6.175 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: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -44.193287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.193287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.193287 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.042 local terms energy: -27.814901 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -4.222 flat angles C4'-P-C4' energy: -8.626 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -43.236794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.236794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.236794 (E_RNA) where: Base-Base interactions energy: -15.720 where: short stacking energy: -15.720 Base-Backbone interact. energy: -0.109 local terms energy: -27.408090 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -47.160542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.160542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.160542 (E_RNA) where: Base-Base interactions energy: -25.908 where: short stacking energy: -8.916 Base-Backbone interact. energy: -0.000 local terms energy: -21.252229 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: 2.206 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -40.787586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.787586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.787586 (E_RNA) where: Base-Base interactions energy: -14.820 where: short stacking energy: -14.820 Base-Backbone interact. energy: -0.096 local terms energy: -25.871333 where: bonds (distance) C4'-P energy: -5.308 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -5.276 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: 316 Temperature: 1.350000 Total energy: -40.587095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.587095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.587095 (E_RNA) where: Base-Base interactions energy: -14.123 where: short stacking energy: -14.123 Base-Backbone interact. energy: -0.086 local terms energy: -26.378411 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -66.954062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.954062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.954062 (E_RNA) where: Base-Base interactions energy: -27.388 where: short stacking energy: -27.388 Base-Backbone interact. energy: -0.000 local terms energy: -39.565952 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -5.078 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: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -60.107758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.107758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.107758 (E_RNA) where: Base-Base interactions energy: -28.870 where: short stacking energy: -23.994 Base-Backbone interact. energy: -0.002 local terms energy: -31.235767 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.580 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -4.811 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: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -54.679020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.679020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.679020 (E_RNA) where: Base-Base interactions energy: -23.629 where: short stacking energy: -23.629 Base-Backbone interact. energy: -0.001 local terms energy: -31.049070 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -5.485 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -60.359848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.359848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.359848 (E_RNA) where: Base-Base interactions energy: -27.485 where: short stacking energy: -19.399 Base-Backbone interact. energy: -0.133 local terms energy: -32.742367 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -6.268 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: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -61.529198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.529198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.529198 (E_RNA) where: Base-Base interactions energy: -28.492 where: short stacking energy: -28.492 Base-Backbone interact. energy: -0.020 local terms energy: -33.017264 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -5.794 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: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -49.743528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.743528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.743528 (E_RNA) where: Base-Base interactions energy: -18.585 where: short stacking energy: -18.585 Base-Backbone interact. energy: -0.064 local terms energy: -31.094719 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -41.185592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.185592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.185592 (E_RNA) where: Base-Base interactions energy: -10.666 where: short stacking energy: -10.666 Base-Backbone interact. energy: -0.064 local terms energy: -30.455283 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -46.202441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.202441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.202441 (E_RNA) where: Base-Base interactions energy: -20.033 where: short stacking energy: -20.033 Base-Backbone interact. energy: -0.037 local terms energy: -26.132297 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -3.058 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -4.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -37.398955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.398955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.398955 (E_RNA) where: Base-Base interactions energy: -5.013 where: short stacking energy: -5.013 Base-Backbone interact. energy: -0.031 local terms energy: -32.354631 where: bonds (distance) C4'-P energy: -7.646 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -4.433 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: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -43.507857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.507857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.507857 (E_RNA) where: Base-Base interactions energy: -15.104 where: short stacking energy: -15.104 Base-Backbone interact. energy: 0.781 local terms energy: -29.184458 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -68.167231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.167231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.167231 (E_RNA) where: Base-Base interactions energy: -35.092 where: short stacking energy: -24.164 Base-Backbone interact. energy: 0.120 local terms energy: -33.194561 where: bonds (distance) C4'-P energy: -5.333 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -68.888874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.888874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.888874 (E_RNA) where: Base-Base interactions energy: -35.916 where: short stacking energy: -20.246 Base-Backbone interact. energy: -0.035 local terms energy: -32.937708 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -59.087976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.087976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.087976 (E_RNA) where: Base-Base interactions energy: -27.086 where: short stacking energy: -18.262 Base-Backbone interact. energy: -0.187 local terms energy: -31.815233 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -57.514695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.514695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.514695 (E_RNA) where: Base-Base interactions energy: -23.588 where: short stacking energy: -23.588 Base-Backbone interact. energy: -0.000 local terms energy: -33.927060 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -50.773906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.773906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.773906 (E_RNA) where: Base-Base interactions energy: -22.884 where: short stacking energy: -10.485 Base-Backbone interact. energy: 0.192 local terms energy: -28.082053 where: bonds (distance) C4'-P energy: -7.389 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -5.419 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: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -46.506873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.506873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.506873 (E_RNA) where: Base-Base interactions energy: -19.435 where: short stacking energy: -17.580 Base-Backbone interact. energy: -0.065 local terms energy: -27.007202 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -4.993 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -5.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -45.598453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.598453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.598453 (E_RNA) where: Base-Base interactions energy: -16.768 where: short stacking energy: -16.768 Base-Backbone interact. energy: -0.085 local terms energy: -28.746040 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -41.500233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.500233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.500233 (E_RNA) where: Base-Base interactions energy: -14.172 where: short stacking energy: -11.487 Base-Backbone interact. energy: -0.093 local terms energy: -27.235094 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -3.935 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -42.411693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.411693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.411693 (E_RNA) where: Base-Base interactions energy: -17.055 where: short stacking energy: -17.055 Base-Backbone interact. energy: -0.001 local terms energy: -25.355138 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -41.089118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.089118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.089118 (E_RNA) where: Base-Base interactions energy: -14.704 where: short stacking energy: -15.465 Base-Backbone interact. energy: -0.121 local terms energy: -26.264827 where: bonds (distance) C4'-P energy: -3.704 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -7.551 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: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -62.047896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.047896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.047896 (E_RNA) where: Base-Base interactions energy: -28.438 where: short stacking energy: -28.438 Base-Backbone interact. energy: -0.000 local terms energy: -33.609872 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -2.115 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: 2, replica: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -65.533277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.533277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.533277 (E_RNA) where: Base-Base interactions energy: -32.601 where: short stacking energy: -21.833 Base-Backbone interact. energy: 0.307 local terms energy: -33.239392 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -8.283 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -4.255 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: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -51.159749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.159749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.159749 (E_RNA) where: Base-Base interactions energy: -17.182 where: short stacking energy: -17.129 Base-Backbone interact. energy: -0.082 local terms energy: -33.895896 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -56.412481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.412481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.412481 (E_RNA) where: Base-Base interactions energy: -22.032 where: short stacking energy: -22.032 Base-Backbone interact. energy: -0.013 local terms energy: -34.367817 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -5.774 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: 9 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -61.301197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.301197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.301197 (E_RNA) where: Base-Base interactions energy: -27.326 where: short stacking energy: -19.643 Base-Backbone interact. energy: -0.120 local terms energy: -33.855255 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -9.127 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -50.284540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.284540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.284540 (E_RNA) where: Base-Base interactions energy: -15.597 where: short stacking energy: -15.597 Base-Backbone interact. energy: -0.001 local terms energy: -34.686862 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.426 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: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -46.780665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.780665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.780665 (E_RNA) where: Base-Base interactions energy: -16.108 where: short stacking energy: -16.108 Base-Backbone interact. energy: -0.044 local terms energy: -30.628733 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -43.786466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.786466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.786466 (E_RNA) where: Base-Base interactions energy: -15.618 where: short stacking energy: -15.618 Base-Backbone interact. energy: -0.002 local terms energy: -28.166553 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -2.599 tors. eta vs tors. theta energy: -5.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -41.207487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.207487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.207487 (E_RNA) where: Base-Base interactions energy: -11.508 where: short stacking energy: -11.508 Base-Backbone interact. energy: -0.001 local terms energy: -29.698091 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -48.315116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.315116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.315116 (E_RNA) where: Base-Base interactions energy: -16.037 where: short stacking energy: -16.037 Base-Backbone interact. energy: -0.008 local terms energy: -32.269807 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -2.639 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -68.407661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.407661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.407661 (E_RNA) where: Base-Base interactions energy: -25.723 where: short stacking energy: -25.723 Base-Backbone interact. energy: -0.000 local terms energy: -42.684827 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.788 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -10.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -57.330853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.330853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.330853 (E_RNA) where: Base-Base interactions energy: -23.960 where: short stacking energy: -23.960 Base-Backbone interact. energy: -0.010 local terms energy: -33.360340 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -6.171 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -55.041931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.041931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.041931 (E_RNA) where: Base-Base interactions energy: -23.555 where: short stacking energy: -9.062 Base-Backbone interact. energy: -0.002 local terms energy: -31.484675 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -62.056525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.056525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.056525 (E_RNA) where: Base-Base interactions energy: -30.186 where: short stacking energy: -13.779 Base-Backbone interact. energy: -0.019 local terms energy: -31.851633 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -5.136 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: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -53.718268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.718268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.718268 (E_RNA) where: Base-Base interactions energy: -21.017 where: short stacking energy: -21.017 Base-Backbone interact. energy: -0.105 local terms energy: -32.597011 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -42.710831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.710831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.710831 (E_RNA) where: Base-Base interactions energy: -17.635 where: short stacking energy: -9.817 Base-Backbone interact. energy: -0.374 local terms energy: -24.701995 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -3.765 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: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -44.118500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.118500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.118500 (E_RNA) where: Base-Base interactions energy: -15.587 where: short stacking energy: -15.587 Base-Backbone interact. energy: -0.119 local terms energy: -28.412960 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -41.743787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.743787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.743787 (E_RNA) where: Base-Base interactions energy: -23.414 where: short stacking energy: -19.884 Base-Backbone interact. energy: -0.001 local terms energy: -18.328906 where: bonds (distance) C4'-P energy: -3.896 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -3.069 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -50.643208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.643208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.643208 (E_RNA) where: Base-Base interactions energy: -23.210 where: short stacking energy: -23.210 Base-Backbone interact. energy: -0.000 local terms energy: -27.433624 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -3.774 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -4.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -49.479548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.479548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.479548 (E_RNA) where: Base-Base interactions energy: -26.404 where: short stacking energy: -18.854 Base-Backbone interact. energy: -0.000 local terms energy: -23.075184 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -2.893 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -62.282700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.282700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.282700 (E_RNA) where: Base-Base interactions energy: -25.435 where: short stacking energy: -25.435 Base-Backbone interact. energy: -0.035 local terms energy: -36.812923 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -6.569 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: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -73.757739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.757739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.757739 (E_RNA) where: Base-Base interactions energy: -37.085 where: short stacking energy: -22.582 Base-Backbone interact. energy: -0.005 local terms energy: -36.667505 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.081 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -5.926 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: 3, replica: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -60.436053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.436053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.436053 (E_RNA) where: Base-Base interactions energy: -29.408 where: short stacking energy: -29.408 Base-Backbone interact. energy: -0.000 local terms energy: -31.027737 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -7.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -49.606366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.606366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.606366 (E_RNA) where: Base-Base interactions energy: -22.010 where: short stacking energy: -14.830 Base-Backbone interact. energy: -0.058 local terms energy: -27.538121 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -57.239764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.239764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.239764 (E_RNA) where: Base-Base interactions energy: -33.135 where: short stacking energy: -22.477 Base-Backbone interact. energy: -0.008 local terms energy: -24.096691 where: bonds (distance) C4'-P energy: -2.989 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -55.243463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.243463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.243463 (E_RNA) where: Base-Base interactions energy: -30.194 where: short stacking energy: -16.022 Base-Backbone interact. energy: -0.008 local terms energy: -25.041357 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -0.777 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: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -41.948634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.948634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.948634 (E_RNA) where: Base-Base interactions energy: -16.789 where: short stacking energy: -16.848 Base-Backbone interact. energy: -0.104 local terms energy: -25.055583 where: bonds (distance) C4'-P energy: -5.308 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -1.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -40.792893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.792893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.792893 (E_RNA) where: Base-Base interactions energy: -13.931 where: short stacking energy: -10.262 Base-Backbone interact. energy: -0.004 local terms energy: -26.858693 where: bonds (distance) C4'-P energy: -6.217 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -6.447 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: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -48.023803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.023803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.023803 (E_RNA) where: Base-Base interactions energy: -18.482 where: short stacking energy: -14.248 Base-Backbone interact. energy: -0.096 local terms energy: -29.446126 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -48.433673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.433673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.433673 (E_RNA) where: Base-Base interactions energy: -17.152 where: short stacking energy: -17.152 Base-Backbone interact. energy: -0.105 local terms energy: -31.176454 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -5.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -82.774510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.774510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.774510 (E_RNA) where: Base-Base interactions energy: -45.741 where: short stacking energy: -31.462 Base-Backbone interact. energy: -0.014 local terms energy: -37.019038 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -5.269 flat angles C4'-P-C4' energy: -8.605 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -9.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -69.054523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.054523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.054523 (E_RNA) where: Base-Base interactions energy: -34.507 where: short stacking energy: -19.138 Base-Backbone interact. energy: -0.078 local terms energy: -34.469637 where: bonds (distance) C4'-P energy: -8.407 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -7.060 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: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -58.791795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.791795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.791795 (E_RNA) where: Base-Base interactions energy: -24.533 where: short stacking energy: -24.533 Base-Backbone interact. energy: -0.011 local terms energy: -34.247962 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -60.569989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.569989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.569989 (E_RNA) where: Base-Base interactions energy: -26.727 where: short stacking energy: -26.727 Base-Backbone interact. energy: -0.000 local terms energy: -33.842648 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -3.286 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: 5, replica: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -52.430865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.430865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.430865 (E_RNA) where: Base-Base interactions energy: -17.313 where: short stacking energy: -17.313 Base-Backbone interact. energy: -0.079 local terms energy: -35.038959 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -4.187 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: 6, replica: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -43.650516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.650516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.650516 (E_RNA) where: Base-Base interactions energy: -14.271 where: short stacking energy: -11.517 Base-Backbone interact. energy: -0.216 local terms energy: -29.163281 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -8.641 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -43.343439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.343439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.343439 (E_RNA) where: Base-Base interactions energy: -13.111 where: short stacking energy: -12.452 Base-Backbone interact. energy: -0.067 local terms energy: -30.165535 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -54.058454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.058454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.058454 (E_RNA) where: Base-Base interactions energy: -21.981 where: short stacking energy: -21.981 Base-Backbone interact. energy: -0.001 local terms energy: -32.076935 where: bonds (distance) C4'-P energy: -5.561 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -4.970 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: 9, replica: 2 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -40.633935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.633935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.633935 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.014 local terms energy: -28.537552 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -6.614 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -39.867430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.867430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.867430 (E_RNA) where: Base-Base interactions energy: -18.634 where: short stacking energy: -17.988 Base-Backbone interact. energy: -0.142 local terms energy: -21.090508 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: 0.180 tors. eta vs tors. theta energy: -0.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -79.648280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.648280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.648280 (E_RNA) where: Base-Base interactions energy: -44.536 where: short stacking energy: -33.841 Base-Backbone interact. energy: -0.056 local terms energy: -35.056767 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.272 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -4.587 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: 2, replica: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -61.382024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.382024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.382024 (E_RNA) where: Base-Base interactions energy: -23.953 where: short stacking energy: -23.953 Base-Backbone interact. energy: -0.019 local terms energy: -37.409926 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -3.091 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: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -66.551356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.551356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.551356 (E_RNA) where: Base-Base interactions energy: -29.074 where: short stacking energy: -25.281 Base-Backbone interact. energy: -0.399 local terms energy: -37.077933 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -6.864 tors. eta vs tors. theta energy: -7.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -56.918756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.918756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.918756 (E_RNA) where: Base-Base interactions energy: -22.039 where: short stacking energy: -22.039 Base-Backbone interact. energy: -0.000 local terms energy: -34.879278 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -5.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -57.626784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.626784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.626784 (E_RNA) where: Base-Base interactions energy: -25.812 where: short stacking energy: -25.812 Base-Backbone interact. energy: -0.000 local terms energy: -31.814140 where: bonds (distance) C4'-P energy: -6.491 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -49.200893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.200893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.200893 (E_RNA) where: Base-Base interactions energy: -20.758 where: short stacking energy: -20.758 Base-Backbone interact. energy: -0.000 local terms energy: -28.442339 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -7.609 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -50.969359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.969359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.969359 (E_RNA) where: Base-Base interactions energy: -25.250 where: short stacking energy: -18.479 Base-Backbone interact. energy: -0.002 local terms energy: -25.718079 where: bonds (distance) C4'-P energy: -3.467 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -0.424 tors. eta vs tors. theta energy: -7.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -46.257749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.257749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.257749 (E_RNA) where: Base-Base interactions energy: -13.910 where: short stacking energy: -13.910 Base-Backbone interact. energy: -0.012 local terms energy: -32.335104 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -5.679 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: 9, replica: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -47.349769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.349769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.349769 (E_RNA) where: Base-Base interactions energy: -20.361 where: short stacking energy: -20.361 Base-Backbone interact. energy: -0.002 local terms energy: -26.986461 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -46.730979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.730979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.730979 (E_RNA) where: Base-Base interactions energy: -17.749 where: short stacking energy: -17.749 Base-Backbone interact. energy: -0.003 local terms energy: -28.979700 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -1.417 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -6.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -80.282310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.282310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.282310 (E_RNA) where: Base-Base interactions energy: -45.326 where: short stacking energy: -31.290 Base-Backbone interact. energy: -0.013 local terms energy: -34.943475 where: bonds (distance) C4'-P energy: -5.113 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -5.100 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: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -63.597132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.597132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.597132 (E_RNA) where: Base-Base interactions energy: -26.038 where: short stacking energy: -26.038 Base-Backbone interact. energy: -0.000 local terms energy: -37.559209 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -6.083 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: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -60.280003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.280003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.280003 (E_RNA) where: Base-Base interactions energy: -30.426 where: short stacking energy: -19.806 Base-Backbone interact. energy: -0.052 local terms energy: -29.801428 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -5.731 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: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -54.672066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.672066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.672066 (E_RNA) where: Base-Base interactions energy: -20.781 where: short stacking energy: -17.057 Base-Backbone interact. energy: -0.000 local terms energy: -33.891302 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -54.635499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.635499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.635499 (E_RNA) where: Base-Base interactions energy: -23.662 where: short stacking energy: -21.370 Base-Backbone interact. energy: -0.006 local terms energy: -30.967556 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -4.904 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: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -51.364156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.364156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.364156 (E_RNA) where: Base-Base interactions energy: -21.406 where: short stacking energy: -21.406 Base-Backbone interact. energy: -0.021 local terms energy: -29.936696 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -47.677451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.677451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.677451 (E_RNA) where: Base-Base interactions energy: -13.057 where: short stacking energy: -13.057 Base-Backbone interact. energy: -0.012 local terms energy: -34.608237 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -6.746 tors. eta vs tors. theta energy: -3.035 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: 324 Temperature: 1.250000 Total energy: -47.820929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.820929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.820929 (E_RNA) where: Base-Base interactions energy: -21.663 where: short stacking energy: -21.663 Base-Backbone interact. energy: -0.002 local terms energy: -26.155886 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.257 flat angles C4'-P-C4' energy: -8.959 flat angles P-C4'-P energy: -1.987 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: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -45.032581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.032581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.032581 (E_RNA) where: Base-Base interactions energy: -14.707 where: short stacking energy: -14.707 Base-Backbone interact. energy: 0.069 local terms energy: -30.395123 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.402 flat angles C4'-P-C4' energy: -9.484 flat angles P-C4'-P energy: -2.169 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -47.169286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.169286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.169286 (E_RNA) where: Base-Base interactions energy: -15.039 where: short stacking energy: -15.039 Base-Backbone interact. energy: -0.043 local terms energy: -32.087199 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -73.702058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.702058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.702058 (E_RNA) where: Base-Base interactions energy: -43.256 where: short stacking energy: -22.905 Base-Backbone interact. energy: -0.080 local terms energy: -30.366415 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -3.698 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: 2, replica: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -62.615270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.615270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.615270 (E_RNA) where: Base-Base interactions energy: -31.525 where: short stacking energy: -13.698 Base-Backbone interact. energy: -0.040 local terms energy: -31.051101 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -9.081 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -62.521596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.521596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.521596 (E_RNA) where: Base-Base interactions energy: -25.218 where: short stacking energy: -25.218 Base-Backbone interact. energy: -0.019 local terms energy: -37.284283 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -7.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -70.466441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.466441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.466441 (E_RNA) where: Base-Base interactions energy: -34.009 where: short stacking energy: -34.009 Base-Backbone interact. energy: -0.000 local terms energy: -36.457036 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.015 flat angles P-C4'-P energy: -3.427 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: 5, replica: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -60.149102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.149102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.149102 (E_RNA) where: Base-Base interactions energy: -23.925 where: short stacking energy: -23.925 Base-Backbone interact. energy: -0.000 local terms energy: -36.224082 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -8.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -48.720706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.720706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.720706 (E_RNA) where: Base-Base interactions energy: -12.778 where: short stacking energy: -12.778 Base-Backbone interact. energy: -0.288 local terms energy: -35.654606 where: bonds (distance) C4'-P energy: -6.121 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -7.237 tors. eta vs tors. theta energy: -6.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -42.305100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.305100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.305100 (E_RNA) where: Base-Base interactions energy: -15.434 where: short stacking energy: -15.434 Base-Backbone interact. energy: -0.040 local terms energy: -26.831135 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -44.582573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.582573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.582573 (E_RNA) where: Base-Base interactions energy: -15.029 where: short stacking energy: -12.679 Base-Backbone interact. energy: -0.063 local terms energy: -29.490238 where: bonds (distance) C4'-P energy: -6.350 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -40.659909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.659909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.659909 (E_RNA) where: Base-Base interactions energy: -16.729 where: short stacking energy: -5.185 Base-Backbone interact. energy: -0.502 local terms energy: -23.428146 where: bonds (distance) C4'-P energy: -5.700 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: 2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -43.671854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.671854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.671854 (E_RNA) where: Base-Base interactions energy: -15.380 where: short stacking energy: -15.380 Base-Backbone interact. energy: -0.000 local terms energy: -28.291457 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -3.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -75.457580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.457580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.457580 (E_RNA) where: Base-Base interactions energy: -40.589 where: short stacking energy: -28.497 Base-Backbone interact. energy: -0.000 local terms energy: -34.868004 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -6.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -79.463944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.463944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.463944 (E_RNA) where: Base-Base interactions energy: -44.533 where: short stacking energy: -26.777 Base-Backbone interact. energy: -0.002 local terms energy: -34.928731 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -6.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -61.157124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.157124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.157124 (E_RNA) where: Base-Base interactions energy: -28.356 where: short stacking energy: -28.356 Base-Backbone interact. energy: -0.078 local terms energy: -32.723029 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -6.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -55.632649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.632649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.632649 (E_RNA) where: Base-Base interactions energy: -23.469 where: short stacking energy: -16.713 Base-Backbone interact. energy: -0.016 local terms energy: -32.147980 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -9.408 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -52.979324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.979324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.979324 (E_RNA) where: Base-Base interactions energy: -20.527 where: short stacking energy: -20.527 Base-Backbone interact. energy: -0.002 local terms energy: -32.449991 where: bonds (distance) C4'-P energy: -5.757 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.528 flat angles P-C4'-P energy: -6.811 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: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -56.909514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.909514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.909514 (E_RNA) where: Base-Base interactions energy: -29.071 where: short stacking energy: -16.904 Base-Backbone interact. energy: -0.002 local terms energy: -27.836455 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -5.736 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: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -58.668917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.668917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.668917 (E_RNA) where: Base-Base interactions energy: -25.169 where: short stacking energy: -21.077 Base-Backbone interact. energy: -0.020 local terms energy: -33.479770 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -45.318034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.318034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.318034 (E_RNA) where: Base-Base interactions energy: -21.060 where: short stacking energy: -21.060 Base-Backbone interact. energy: -0.070 local terms energy: -24.188229 where: bonds (distance) C4'-P energy: -2.251 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -2.379 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: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -41.983250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.983250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.983250 (E_RNA) where: Base-Base interactions energy: -18.991 where: short stacking energy: -18.991 Base-Backbone interact. energy: -0.001 local terms energy: -22.991228 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -41.929460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.929460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.929460 (E_RNA) where: Base-Base interactions energy: -15.344 where: short stacking energy: -11.912 Base-Backbone interact. energy: 0.206 local terms energy: -26.790934 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -6.421 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -67.401358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.401358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.401358 (E_RNA) where: Base-Base interactions energy: -35.120 where: short stacking energy: -25.280 Base-Backbone interact. energy: -0.001 local terms energy: -32.280141 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -65.033081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.033081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.033081 (E_RNA) where: Base-Base interactions energy: -29.044 where: short stacking energy: -29.044 Base-Backbone interact. energy: -0.009 local terms energy: -35.980565 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -5.483 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: 3, replica: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -78.455922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.455922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.455922 (E_RNA) where: Base-Base interactions energy: -42.402 where: short stacking energy: -23.180 Base-Backbone interact. energy: 0.349 local terms energy: -36.402479 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -6.282 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: 4, replica: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -66.773436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.773436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.773436 (E_RNA) where: Base-Base interactions energy: -34.478 where: short stacking energy: -14.766 Base-Backbone interact. energy: -0.000 local terms energy: -32.295548 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -6.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -53.227767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.227767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.227767 (E_RNA) where: Base-Base interactions energy: -23.310 where: short stacking energy: -14.876 Base-Backbone interact. energy: -0.003 local terms energy: -29.914844 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -6.303 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -47.323096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.323096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.323096 (E_RNA) where: Base-Base interactions energy: -16.485 where: short stacking energy: -16.485 Base-Backbone interact. energy: -0.099 local terms energy: -30.739385 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -5.914 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -49.054617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.054617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.054617 (E_RNA) where: Base-Base interactions energy: -16.211 where: short stacking energy: -16.211 Base-Backbone interact. energy: -0.019 local terms energy: -32.824621 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -49.226371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.226371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.226371 (E_RNA) where: Base-Base interactions energy: -18.462 where: short stacking energy: -18.462 Base-Backbone interact. energy: -0.010 local terms energy: -30.753749 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -3.739 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: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -44.768476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.768476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.768476 (E_RNA) where: Base-Base interactions energy: -16.385 where: short stacking energy: -16.385 Base-Backbone interact. energy: -0.005 local terms energy: -28.377963 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -3.812 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -36.989561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.989561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.989561 (E_RNA) where: Base-Base interactions energy: -16.258 where: short stacking energy: -9.187 Base-Backbone interact. energy: -0.177 local terms energy: -20.554660 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -7.867 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: 2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -54.298666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.298666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.298666 (E_RNA) where: Base-Base interactions energy: -20.136 where: short stacking energy: -19.840 Base-Backbone interact. energy: -0.002 local terms energy: -34.160480 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -5.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -74.127634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.127634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.127634 (E_RNA) where: Base-Base interactions energy: -40.600 where: short stacking energy: -19.215 Base-Backbone interact. energy: -0.149 local terms energy: -33.378546 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -6.985 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: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -61.398288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.398288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.398288 (E_RNA) where: Base-Base interactions energy: -28.170 where: short stacking energy: -21.083 Base-Backbone interact. energy: -0.005 local terms energy: -33.223596 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -6.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -56.367641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.367641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.367641 (E_RNA) where: Base-Base interactions energy: -22.708 where: short stacking energy: -18.977 Base-Backbone interact. energy: -0.704 local terms energy: -32.954847 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -53.500223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.500223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.500223 (E_RNA) where: Base-Base interactions energy: -22.240 where: short stacking energy: -13.296 Base-Backbone interact. energy: -0.032 local terms energy: -31.227876 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -3.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -48.723198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.723198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.723198 (E_RNA) where: Base-Base interactions energy: -21.645 where: short stacking energy: -21.645 Base-Backbone interact. energy: -0.322 local terms energy: -26.755524 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -2.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -38.242599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.242599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.242599 (E_RNA) where: Base-Base interactions energy: -17.764 where: short stacking energy: -17.764 Base-Backbone interact. energy: -0.072 local terms energy: -20.406653 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -3.619 flat angles C4'-P-C4' energy: -3.528 flat angles P-C4'-P energy: -1.237 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: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -51.450129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.450129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.450129 (E_RNA) where: Base-Base interactions energy: -20.810 where: short stacking energy: -20.810 Base-Backbone interact. energy: -0.066 local terms energy: -30.574381 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -41.356531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.356531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.356531 (E_RNA) where: Base-Base interactions energy: -16.282 where: short stacking energy: -16.282 Base-Backbone interact. energy: -0.015 local terms energy: -25.059782 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -4.189 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -40.300775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.300775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.300775 (E_RNA) where: Base-Base interactions energy: -11.085 where: short stacking energy: -11.085 Base-Backbone interact. energy: -0.001 local terms energy: -29.215552 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -1.273 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: 1, replica: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -69.473063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.473063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.473063 (E_RNA) where: Base-Base interactions energy: -30.027 where: short stacking energy: -30.027 Base-Backbone interact. energy: -0.000 local terms energy: -39.445475 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -10.008 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: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -74.847149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.847149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.847149 (E_RNA) where: Base-Base interactions energy: -45.963 where: short stacking energy: -23.876 Base-Backbone interact. energy: -0.257 local terms energy: -28.627588 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -62.227285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.227285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.227285 (E_RNA) where: Base-Base interactions energy: -25.409 where: short stacking energy: -25.409 Base-Backbone interact. energy: -0.041 local terms energy: -36.777237 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -7.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -55.879711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.879711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.879711 (E_RNA) where: Base-Base interactions energy: -27.435 where: short stacking energy: -21.440 Base-Backbone interact. energy: -0.025 local terms energy: -28.419647 where: bonds (distance) C4'-P energy: -3.825 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.648 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: 5, replica: 10 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -50.565441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.565441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.565441 (E_RNA) where: Base-Base interactions energy: -20.748 where: short stacking energy: -15.338 Base-Backbone interact. energy: -0.138 local terms energy: -29.678712 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -4.176 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: 6, replica: 4 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -51.086927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.086927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.086927 (E_RNA) where: Base-Base interactions energy: -16.737 where: short stacking energy: -15.123 Base-Backbone interact. energy: -0.171 local terms energy: -34.178362 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -57.790773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.790773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.790773 (E_RNA) where: Base-Base interactions energy: -24.762 where: short stacking energy: -24.762 Base-Backbone interact. energy: -0.022 local terms energy: -33.006545 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -6.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -50.736548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.736548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.736548 (E_RNA) where: Base-Base interactions energy: -19.411 where: short stacking energy: -19.411 Base-Backbone interact. energy: -0.001 local terms energy: -31.325345 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -42.920506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.920506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.920506 (E_RNA) where: Base-Base interactions energy: -12.361 where: short stacking energy: -10.878 Base-Backbone interact. energy: -0.446 local terms energy: -30.112716 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -1.567 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: 329 Temperature: 1.350000 Total energy: -44.718062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.718062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.718062 (E_RNA) where: Base-Base interactions energy: -19.022 where: short stacking energy: -19.022 Base-Backbone interact. energy: -0.034 local terms energy: -25.661107 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -5.228 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -0.550 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: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -63.408590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.408590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.408590 (E_RNA) where: Base-Base interactions energy: -30.570 where: short stacking energy: -21.756 Base-Backbone interact. energy: -0.007 local terms energy: -32.831431 where: bonds (distance) C4'-P energy: -7.344 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.569 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -57.047693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.047693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.047693 (E_RNA) where: Base-Base interactions energy: -24.075 where: short stacking energy: -24.075 Base-Backbone interact. energy: -0.004 local terms energy: -32.968070 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -61.632680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.632680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.632680 (E_RNA) where: Base-Base interactions energy: -27.196 where: short stacking energy: -18.770 Base-Backbone interact. energy: -0.001 local terms energy: -34.434890 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -2.165 tors. eta vs tors. theta energy: -5.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -59.224587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.224587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.224587 (E_RNA) where: Base-Base interactions energy: -27.424 where: short stacking energy: -27.424 Base-Backbone interact. energy: -0.008 local terms energy: -31.792308 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -2.495 flat angles P-C4'-P energy: -5.594 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: 5, replica: 10 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -58.350357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.350357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.350357 (E_RNA) where: Base-Base interactions energy: -24.860 where: short stacking energy: -24.860 Base-Backbone interact. energy: 0.229 local terms energy: -33.719459 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -48.833657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.833657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.833657 (E_RNA) where: Base-Base interactions energy: -19.311 where: short stacking energy: -19.311 Base-Backbone interact. energy: -0.082 local terms energy: -29.440705 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -4.929 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: 7, replica: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -53.422170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.422170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.422170 (E_RNA) where: Base-Base interactions energy: -22.992 where: short stacking energy: -22.992 Base-Backbone interact. energy: -0.008 local terms energy: -30.422312 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -5.945 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: 330 Temperature: 1.250000 Total energy: -54.026434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.026434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.026434 (E_RNA) where: Base-Base interactions energy: -21.938 where: short stacking energy: -19.342 Base-Backbone interact. energy: -0.096 local terms energy: -31.992099 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -8.541 flat angles P-C4'-P energy: -4.611 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: 9, replica: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -47.667840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.667840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.667840 (E_RNA) where: Base-Base interactions energy: -13.859 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.161 local terms energy: -33.647715 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -45.451245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.451245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.451245 (E_RNA) where: Base-Base interactions energy: -21.764 where: short stacking energy: -17.663 Base-Backbone interact. energy: -0.425 local terms energy: -23.263178 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.805 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -1.532 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: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -63.043552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.043552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.043552 (E_RNA) where: Base-Base interactions energy: -30.791 where: short stacking energy: -13.535 Base-Backbone interact. energy: -0.026 local terms energy: -32.226135 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -6.541 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: 2, replica: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -68.198825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.198825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.198825 (E_RNA) where: Base-Base interactions energy: -34.029 where: short stacking energy: -22.253 Base-Backbone interact. energy: -0.809 local terms energy: -33.361057 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -9.303 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -5.869 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: 331 Temperature: 1.000000 Total energy: -63.497834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.497834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.497834 (E_RNA) where: Base-Base interactions energy: -26.116 where: short stacking energy: -21.611 Base-Backbone interact. energy: -0.000 local terms energy: -37.381448 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -59.112903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.112903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.112903 (E_RNA) where: Base-Base interactions energy: -27.216 where: short stacking energy: -13.682 Base-Backbone interact. energy: -0.374 local terms energy: -31.523124 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -0.870 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: 3 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -60.376852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.376852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.376852 (E_RNA) where: Base-Base interactions energy: -26.162 where: short stacking energy: -22.901 Base-Backbone interact. energy: -0.000 local terms energy: -34.214924 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -3.727 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: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -53.964794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.964794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.964794 (E_RNA) where: Base-Base interactions energy: -18.622 where: short stacking energy: -18.164 Base-Backbone interact. energy: -0.001 local terms energy: -35.341836 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -5.420 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: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -51.860690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.860690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.860690 (E_RNA) where: Base-Base interactions energy: -24.171 where: short stacking energy: -17.648 Base-Backbone interact. energy: -0.052 local terms energy: -27.637476 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -2.731 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: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -48.717486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.717486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.717486 (E_RNA) where: Base-Base interactions energy: -21.038 where: short stacking energy: -21.038 Base-Backbone interact. energy: -0.045 local terms energy: -27.634751 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -5.403 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: 9, replica: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -50.477031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.477031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.477031 (E_RNA) where: Base-Base interactions energy: -19.739 where: short stacking energy: -19.727 Base-Backbone interact. energy: -0.057 local terms energy: -30.680996 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.678 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -43.944399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.944399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.944399 (E_RNA) where: Base-Base interactions energy: -16.536 where: short stacking energy: -16.536 Base-Backbone interact. energy: -0.095 local terms energy: -27.313906 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -71.902037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.902037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.902037 (E_RNA) where: Base-Base interactions energy: -36.476 where: short stacking energy: -34.539 Base-Backbone interact. energy: -0.090 local terms energy: -35.336313 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -7.487 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: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -74.567575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.567575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.567575 (E_RNA) where: Base-Base interactions energy: -42.314 where: short stacking energy: -20.639 Base-Backbone interact. energy: -0.015 local terms energy: -32.238427 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -6.186 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: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -67.232516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.232516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.232516 (E_RNA) where: Base-Base interactions energy: -37.835 where: short stacking energy: -19.216 Base-Backbone interact. energy: -0.004 local terms energy: -29.393658 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -5.975 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -6.795 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: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -58.407219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.407219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.407219 (E_RNA) where: Base-Base interactions energy: -21.642 where: short stacking energy: -21.642 Base-Backbone interact. energy: -0.000 local terms energy: -36.764795 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -7.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -48.736604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.736604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.736604 (E_RNA) where: Base-Base interactions energy: -21.644 where: short stacking energy: -16.340 Base-Backbone interact. energy: -0.022 local terms energy: -27.070103 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -49.335014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.335014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.335014 (E_RNA) where: Base-Base interactions energy: -21.064 where: short stacking energy: -17.495 Base-Backbone interact. energy: -0.072 local terms energy: -28.198596 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -3.970 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -43.932161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.932161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.932161 (E_RNA) where: Base-Base interactions energy: -21.869 where: short stacking energy: -12.503 Base-Backbone interact. energy: -0.103 local terms energy: -21.959325 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -5.383 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: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -47.234270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.234270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.234270 (E_RNA) where: Base-Base interactions energy: -18.847 where: short stacking energy: -10.548 Base-Backbone interact. energy: -0.028 local terms energy: -28.359190 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -5.510 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: 9, replica: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -42.977370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.977370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.977370 (E_RNA) where: Base-Base interactions energy: -14.716 where: short stacking energy: -14.716 Base-Backbone interact. energy: 1.942 local terms energy: -30.203569 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -52.161813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.161813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.161813 (E_RNA) where: Base-Base interactions energy: -28.199 where: short stacking energy: -23.309 Base-Backbone interact. energy: -0.032 local terms energy: -23.930657 where: bonds (distance) C4'-P energy: -2.588 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -1.010 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: 1, replica: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -69.833942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.833942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.833942 (E_RNA) where: Base-Base interactions energy: -35.254 where: short stacking energy: -35.254 Base-Backbone interact. energy: -0.000 local terms energy: -34.579985 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -5.357 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -11.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -74.935166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.935166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.935166 (E_RNA) where: Base-Base interactions energy: -41.869 where: short stacking energy: -31.934 Base-Backbone interact. energy: -0.000 local terms energy: -33.065657 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -1.418 tors. eta vs tors. theta energy: -9.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -56.802091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.802091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.802091 (E_RNA) where: Base-Base interactions energy: -23.680 where: short stacking energy: -23.680 Base-Backbone interact. energy: -0.037 local terms energy: -33.085659 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -60.864609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.864609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.864609 (E_RNA) where: Base-Base interactions energy: -29.422 where: short stacking energy: -21.025 Base-Backbone interact. energy: 0.615 local terms energy: -32.057855 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.803 flat angles P-C4'-P energy: -5.752 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: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -50.817796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.817796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.817796 (E_RNA) where: Base-Base interactions energy: -17.361 where: short stacking energy: -16.423 Base-Backbone interact. energy: -0.110 local terms energy: -33.345893 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -4.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -54.711084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.711084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.711084 (E_RNA) where: Base-Base interactions energy: -24.374 where: short stacking energy: -24.053 Base-Backbone interact. energy: -0.044 local terms energy: -30.293286 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -55.068902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.068902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.068902 (E_RNA) where: Base-Base interactions energy: -24.255 where: short stacking energy: -24.255 Base-Backbone interact. energy: -0.000 local terms energy: -30.813763 where: bonds (distance) C4'-P energy: -2.919 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -6.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -43.298710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.298710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.298710 (E_RNA) where: Base-Base interactions energy: -10.512 where: short stacking energy: -10.512 Base-Backbone interact. energy: -0.091 local terms energy: -32.695816 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -0.541 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: 333 Temperature: 1.300000 Total energy: -38.485047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.485047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.485047 (E_RNA) where: Base-Base interactions energy: -10.527 where: short stacking energy: -10.527 Base-Backbone interact. energy: 1.353 local terms energy: -29.310624 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -33.454260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.454260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.454260 (E_RNA) where: Base-Base interactions energy: -10.707 where: short stacking energy: -10.707 Base-Backbone interact. energy: 0.288 local terms energy: -23.035640 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -73.354000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.354000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.354000 (E_RNA) where: Base-Base interactions energy: -40.451 where: short stacking energy: -21.085 Base-Backbone interact. energy: 0.755 local terms energy: -33.658254 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: 0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -62.169656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.169656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.169656 (E_RNA) where: Base-Base interactions energy: -24.627 where: short stacking energy: -24.627 Base-Backbone interact. energy: -0.055 local terms energy: -37.487518 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -5.088 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: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -55.214418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.214418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.214418 (E_RNA) where: Base-Base interactions energy: -20.809 where: short stacking energy: -20.809 Base-Backbone interact. energy: 0.349 local terms energy: -34.753783 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -62.066787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.066787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.066787 (E_RNA) where: Base-Base interactions energy: -26.812 where: short stacking energy: -26.812 Base-Backbone interact. energy: -0.000 local terms energy: -35.255107 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -7.550 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: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -61.593994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.593994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.593994 (E_RNA) where: Base-Base interactions energy: -24.119 where: short stacking energy: -24.119 Base-Backbone interact. energy: -0.000 local terms energy: -37.474757 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -48.187156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.187156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.187156 (E_RNA) where: Base-Base interactions energy: -18.059 where: short stacking energy: -18.059 Base-Backbone interact. energy: 0.001 local terms energy: -30.128913 where: bonds (distance) C4'-P energy: -3.275 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -6.200 tors. eta vs tors. theta energy: -4.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -47.489445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.489445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.489445 (E_RNA) where: Base-Base interactions energy: -17.127 where: short stacking energy: -17.127 Base-Backbone interact. energy: -0.011 local terms energy: -30.352090 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -45.137339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.137339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.137339 (E_RNA) where: Base-Base interactions energy: -14.043 where: short stacking energy: -14.043 Base-Backbone interact. energy: -0.041 local terms energy: -31.054090 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -5.119 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: 9, replica: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -47.024580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.024580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.024580 (E_RNA) where: Base-Base interactions energy: -21.168 where: short stacking energy: -15.294 Base-Backbone interact. energy: -0.000 local terms energy: -25.856764 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -0.729 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -39.811459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.811459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.811459 (E_RNA) where: Base-Base interactions energy: -13.753 where: short stacking energy: -8.558 Base-Backbone interact. energy: 0.127 local terms energy: -26.185520 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -5.021 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -69.708884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.708884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.708884 (E_RNA) where: Base-Base interactions energy: -38.265 where: short stacking energy: -24.675 Base-Backbone interact. energy: -0.005 local terms energy: -31.439376 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.954 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -2.741 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: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -60.429284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.429284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.429284 (E_RNA) where: Base-Base interactions energy: -28.354 where: short stacking energy: -28.354 Base-Backbone interact. energy: -0.052 local terms energy: -32.023678 where: bonds (distance) C4'-P energy: -4.526 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -6.553 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: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -61.664641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.664641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.664641 (E_RNA) where: Base-Base interactions energy: -27.776 where: short stacking energy: -27.776 Base-Backbone interact. energy: -0.000 local terms energy: -33.888763 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -0.006 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: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -58.194537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.194537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.194537 (E_RNA) where: Base-Base interactions energy: -25.116 where: short stacking energy: -24.564 Base-Backbone interact. energy: -0.018 local terms energy: -33.060696 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -56.049757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.049757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.049757 (E_RNA) where: Base-Base interactions energy: -30.374 where: short stacking energy: -14.463 Base-Backbone interact. energy: -0.125 local terms energy: -25.550767 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: 0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -52.713669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.713669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.713669 (E_RNA) where: Base-Base interactions energy: -17.621 where: short stacking energy: -17.621 Base-Backbone interact. energy: -0.005 local terms energy: -35.088027 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -7.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -50.548977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.548977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.548977 (E_RNA) where: Base-Base interactions energy: -25.427 where: short stacking energy: -10.249 Base-Backbone interact. energy: -0.239 local terms energy: -24.883267 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -44.714045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.714045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.714045 (E_RNA) where: Base-Base interactions energy: -16.312 where: short stacking energy: -16.312 Base-Backbone interact. energy: -0.004 local terms energy: -28.398342 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -3.984 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: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -38.073278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.073278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.073278 (E_RNA) where: Base-Base interactions energy: -8.486 where: short stacking energy: -8.486 Base-Backbone interact. energy: -0.110 local terms energy: -29.477309 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -7.233 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: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -46.487494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.487494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.487494 (E_RNA) where: Base-Base interactions energy: -18.382 where: short stacking energy: -18.382 Base-Backbone interact. energy: -0.018 local terms energy: -28.087280 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -0.920 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: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -68.829230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.829230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.829230 (E_RNA) where: Base-Base interactions energy: -30.815 where: short stacking energy: -30.815 Base-Backbone interact. energy: -0.003 local terms energy: -38.012050 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -7.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -60.559620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.559620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.559620 (E_RNA) where: Base-Base interactions energy: -24.026 where: short stacking energy: -24.026 Base-Backbone interact. energy: -0.000 local terms energy: -36.533859 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.190 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -7.544 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: 3, replica: 7 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -63.891891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.891891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.891891 (E_RNA) where: Base-Base interactions energy: -27.956 where: short stacking energy: -26.174 Base-Backbone interact. energy: -0.334 local terms energy: -35.602118 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -52.760908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.760908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.760908 (E_RNA) where: Base-Base interactions energy: -20.987 where: short stacking energy: -20.987 Base-Backbone interact. energy: -0.001 local terms energy: -31.772500 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -55.243777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.243777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.243777 (E_RNA) where: Base-Base interactions energy: -29.621 where: short stacking energy: -21.449 Base-Backbone interact. energy: -0.021 local terms energy: -25.602021 where: bonds (distance) C4'-P energy: -5.551 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -48.820381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.820381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.820381 (E_RNA) where: Base-Base interactions energy: -16.911 where: short stacking energy: -16.911 Base-Backbone interact. energy: -0.016 local terms energy: -31.892650 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -1.934 tors. eta vs tors. theta energy: -6.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -44.467023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.467023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.467023 (E_RNA) where: Base-Base interactions energy: -16.501 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.265 local terms energy: -27.701401 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -42.753598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.753598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.753598 (E_RNA) where: Base-Base interactions energy: -10.588 where: short stacking energy: -10.588 Base-Backbone interact. energy: -0.085 local terms energy: -32.079808 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -5.702 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: 336 Temperature: 1.300000 Total energy: -40.167177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.167177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.167177 (E_RNA) where: Base-Base interactions energy: -8.173 where: short stacking energy: -8.173 Base-Backbone interact. energy: -0.225 local terms energy: -31.768674 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -5.992 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: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -44.264728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.264728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.264728 (E_RNA) where: Base-Base interactions energy: -13.207 where: short stacking energy: -13.207 Base-Backbone interact. energy: -0.013 local terms energy: -31.044166 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -64.846511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.846511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.846511 (E_RNA) where: Base-Base interactions energy: -29.146 where: short stacking energy: -29.146 Base-Backbone interact. energy: -0.000 local terms energy: -35.700349 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -73.042057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.042057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.042057 (E_RNA) where: Base-Base interactions energy: -35.997 where: short stacking energy: -28.871 Base-Backbone interact. energy: 0.123 local terms energy: -37.168098 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -5.584 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: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -54.365882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.365882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.365882 (E_RNA) where: Base-Base interactions energy: -19.054 where: short stacking energy: -19.054 Base-Backbone interact. energy: -0.001 local terms energy: -35.310853 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -6.060 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: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -53.849046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.849046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.849046 (E_RNA) where: Base-Base interactions energy: -26.891 where: short stacking energy: -12.632 Base-Backbone interact. energy: 0.105 local terms energy: -27.063121 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -6.402 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: 5, replica: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -47.477020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.477020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.477020 (E_RNA) where: Base-Base interactions energy: -16.801 where: short stacking energy: -15.843 Base-Backbone interact. energy: -0.005 local terms energy: -30.670955 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -50.734289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.734289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.734289 (E_RNA) where: Base-Base interactions energy: -25.458 where: short stacking energy: -13.714 Base-Backbone interact. energy: -0.195 local terms energy: -25.081431 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -44.369495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.369495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.369495 (E_RNA) where: Base-Base interactions energy: -14.210 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.088 local terms energy: -30.071979 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -1.441 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: 8, replica: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -42.527133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.527133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.527133 (E_RNA) where: Base-Base interactions energy: -11.489 where: short stacking energy: -11.489 Base-Backbone interact. energy: -0.035 local terms energy: -31.003002 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -5.406 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: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -45.090885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.090885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.090885 (E_RNA) where: Base-Base interactions energy: -17.773 where: short stacking energy: -17.773 Base-Backbone interact. energy: -0.097 local terms energy: -27.221156 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -4.315 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -3.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -43.814491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.814491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.814491 (E_RNA) where: Base-Base interactions energy: -20.116 where: short stacking energy: -19.487 Base-Backbone interact. energy: -0.360 local terms energy: -23.338910 where: bonds (distance) C4'-P energy: -6.065 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -66.852087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.852087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.852087 (E_RNA) where: Base-Base interactions energy: -28.763 where: short stacking energy: -28.763 Base-Backbone interact. energy: -0.000 local terms energy: -38.089312 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -7.498 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: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -58.589489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.589489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.589489 (E_RNA) where: Base-Base interactions energy: -23.585 where: short stacking energy: -23.003 Base-Backbone interact. energy: -0.000 local terms energy: -35.004609 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -7.235 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: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -66.551477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.551477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.551477 (E_RNA) where: Base-Base interactions energy: -31.206 where: short stacking energy: -31.206 Base-Backbone interact. energy: -0.000 local terms energy: -35.345647 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -8.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -56.050071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.050071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.050071 (E_RNA) where: Base-Base interactions energy: -23.160 where: short stacking energy: -23.160 Base-Backbone interact. energy: -0.043 local terms energy: -32.847109 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -51.971386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.971386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.971386 (E_RNA) where: Base-Base interactions energy: -23.412 where: short stacking energy: -11.576 Base-Backbone interact. energy: -0.003 local terms energy: -28.556006 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.993 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: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -54.026605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.026605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.026605 (E_RNA) where: Base-Base interactions energy: -21.556 where: short stacking energy: -21.494 Base-Backbone interact. energy: -0.001 local terms energy: -32.469559 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -3.755 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: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -57.245653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.245653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.245653 (E_RNA) where: Base-Base interactions energy: -26.390 where: short stacking energy: -16.365 Base-Backbone interact. energy: -0.144 local terms energy: -30.712501 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -4.611 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: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -52.856345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.856345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.856345 (E_RNA) where: Base-Base interactions energy: -20.575 where: short stacking energy: -20.374 Base-Backbone interact. energy: -0.000 local terms energy: -32.280809 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -47.487737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.487737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.487737 (E_RNA) where: Base-Base interactions energy: -17.276 where: short stacking energy: -14.848 Base-Backbone interact. energy: -0.001 local terms energy: -30.211107 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -5.996 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: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -41.611515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.611515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.611515 (E_RNA) where: Base-Base interactions energy: -19.511 where: short stacking energy: -15.942 Base-Backbone interact. energy: 0.846 local terms energy: -22.946609 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -4.128 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -68.451981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.451981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.451981 (E_RNA) where: Base-Base interactions energy: -28.046 where: short stacking energy: -28.046 Base-Backbone interact. energy: -0.020 local terms energy: -40.385765 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -9.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -53.136775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.136775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.136775 (E_RNA) where: Base-Base interactions energy: -22.075 where: short stacking energy: -20.792 Base-Backbone interact. energy: -0.038 local terms energy: -31.024061 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -55.264824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.264824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.264824 (E_RNA) where: Base-Base interactions energy: -20.402 where: short stacking energy: -20.402 Base-Backbone interact. energy: -0.074 local terms energy: -34.788263 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -7.658 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -5.363 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: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -57.156139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.156139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.156139 (E_RNA) where: Base-Base interactions energy: -26.663 where: short stacking energy: -23.646 Base-Backbone interact. energy: -0.000 local terms energy: -30.493244 where: bonds (distance) C4'-P energy: -3.341 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -59.006464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.006464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.006464 (E_RNA) where: Base-Base interactions energy: -22.591 where: short stacking energy: -22.591 Base-Backbone interact. energy: -0.019 local terms energy: -36.396668 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -6.204 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: 6, replica: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -43.493898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.493898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.493898 (E_RNA) where: Base-Base interactions energy: -15.415 where: short stacking energy: -15.415 Base-Backbone interact. energy: -0.000 local terms energy: -28.078431 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -5.865 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: 7, replica: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -48.518171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.518171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.518171 (E_RNA) where: Base-Base interactions energy: -16.887 where: short stacking energy: -16.887 Base-Backbone interact. energy: -0.025 local terms energy: -31.605520 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: -4.738 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: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -42.385497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.385497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.385497 (E_RNA) where: Base-Base interactions energy: -14.032 where: short stacking energy: -13.949 Base-Backbone interact. energy: -0.011 local terms energy: -28.342508 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -47.428267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.428267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.428267 (E_RNA) where: Base-Base interactions energy: -18.979 where: short stacking energy: -12.778 Base-Backbone interact. energy: -0.081 local terms energy: -28.368989 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -5.027 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: 339 Temperature: 1.350000 Total energy: -40.371061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.371061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.371061 (E_RNA) where: Base-Base interactions energy: -11.811 where: short stacking energy: -11.811 Base-Backbone interact. energy: -0.101 local terms energy: -28.459290 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -3.867 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: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -69.864377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.864377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.864377 (E_RNA) where: Base-Base interactions energy: -30.074 where: short stacking energy: -30.074 Base-Backbone interact. energy: -0.001 local terms energy: -39.789723 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -7.337 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: 2, replica: 9 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -63.741400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.741400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.741400 (E_RNA) where: Base-Base interactions energy: -27.698 where: short stacking energy: -27.698 Base-Backbone interact. energy: -0.017 local terms energy: -36.026263 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -5.575 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: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -65.239515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.239515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.239515 (E_RNA) where: Base-Base interactions energy: -31.520 where: short stacking energy: -24.311 Base-Backbone interact. energy: -0.050 local terms energy: -33.669414 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -5.957 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -59.172868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.172868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.172868 (E_RNA) where: Base-Base interactions energy: -24.581 where: short stacking energy: -24.581 Base-Backbone interact. energy: -0.001 local terms energy: -34.591081 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.305 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -46.638195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.638195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.638195 (E_RNA) where: Base-Base interactions energy: -17.419 where: short stacking energy: -17.320 Base-Backbone interact. energy: -0.026 local terms energy: -29.192644 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -50.472653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.472653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.472653 (E_RNA) where: Base-Base interactions energy: -13.188 where: short stacking energy: -13.188 Base-Backbone interact. energy: -0.013 local terms energy: -37.271409 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -6.486 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -41.458797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.458797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.458797 (E_RNA) where: Base-Base interactions energy: -14.097 where: short stacking energy: -14.097 Base-Backbone interact. energy: -0.000 local terms energy: -27.361762 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -1.419 flat angles P-C4'-P energy: -2.520 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: 8, replica: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -45.099487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.099487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.099487 (E_RNA) where: Base-Base interactions energy: -14.641 where: short stacking energy: -14.641 Base-Backbone interact. energy: -0.000 local terms energy: -30.457887 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.009 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -2.848 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: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -53.818246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.818246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.818246 (E_RNA) where: Base-Base interactions energy: -21.996 where: short stacking energy: -21.996 Base-Backbone interact. energy: -0.000 local terms energy: -31.822408 where: bonds (distance) C4'-P energy: -7.724 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -5.011 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: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -40.965583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.965583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.965583 (E_RNA) where: Base-Base interactions energy: -12.153 where: short stacking energy: -12.153 Base-Backbone interact. energy: 0.924 local terms energy: -29.736873 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: 1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -65.723892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.723892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.723892 (E_RNA) where: Base-Base interactions energy: -30.772 where: short stacking energy: -30.772 Base-Backbone interact. energy: -0.000 local terms energy: -34.951307 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -65.617768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.617768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.617768 (E_RNA) where: Base-Base interactions energy: -28.668 where: short stacking energy: -28.668 Base-Backbone interact. energy: -0.000 local terms energy: -36.949378 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.158 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -10.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -56.012105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.012105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.012105 (E_RNA) where: Base-Base interactions energy: -22.474 where: short stacking energy: -22.474 Base-Backbone interact. energy: -0.001 local terms energy: -33.536381 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -60.475590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.475590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.475590 (E_RNA) where: Base-Base interactions energy: -28.912 where: short stacking energy: -12.494 Base-Backbone interact. energy: -0.472 local terms energy: -31.091224 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -61.421005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.421005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.421005 (E_RNA) where: Base-Base interactions energy: -22.570 where: short stacking energy: -22.570 Base-Backbone interact. energy: -0.000 local terms energy: -38.850792 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -8.596 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: 6, replica: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -48.063987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.063987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.063987 (E_RNA) where: Base-Base interactions energy: -18.133 where: short stacking energy: -18.133 Base-Backbone interact. energy: -0.001 local terms energy: -29.930738 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -45.188462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.188462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.188462 (E_RNA) where: Base-Base interactions energy: -10.640 where: short stacking energy: -10.074 Base-Backbone interact. energy: -0.060 local terms energy: -34.488712 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -50.596140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.596140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.596140 (E_RNA) where: Base-Base interactions energy: -17.197 where: short stacking energy: -16.649 Base-Backbone interact. energy: -0.000 local terms energy: -33.398740 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -4.801 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: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -45.819041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.819041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.819041 (E_RNA) where: Base-Base interactions energy: -15.971 where: short stacking energy: -15.971 Base-Backbone interact. energy: -0.093 local terms energy: -29.754880 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -40.157927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.157927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.157927 (E_RNA) where: Base-Base interactions energy: -17.481 where: short stacking energy: -17.481 Base-Backbone interact. energy: -0.000 local terms energy: -22.676680 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -2.975 flat angles P-C4'-P energy: -3.579 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: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -72.520014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.520014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.520014 (E_RNA) where: Base-Base interactions energy: -36.001 where: short stacking energy: -36.001 Base-Backbone interact. energy: -0.000 local terms energy: -36.518940 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -9.311 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -9.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -73.390021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.390021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.390021 (E_RNA) where: Base-Base interactions energy: -34.562 where: short stacking energy: -31.312 Base-Backbone interact. energy: -0.000 local terms energy: -38.827928 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -5.177 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: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -62.241742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.241742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.241742 (E_RNA) where: Base-Base interactions energy: -32.477 where: short stacking energy: -20.013 Base-Backbone interact. energy: -0.245 local terms energy: -29.520085 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -6.655 tors. eta vs tors. theta energy: -2.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -57.303842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.303842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.303842 (E_RNA) where: Base-Base interactions energy: -24.114 where: short stacking energy: -24.114 Base-Backbone interact. energy: -0.139 local terms energy: -33.051069 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -59.718298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.718298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.718298 (E_RNA) where: Base-Base interactions energy: -23.673 where: short stacking energy: -23.046 Base-Backbone interact. energy: -1.145 local terms energy: -34.900109 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -50.446922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.446922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.446922 (E_RNA) where: Base-Base interactions energy: -24.062 where: short stacking energy: -18.800 Base-Backbone interact. energy: -0.013 local terms energy: -26.371855 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: 0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -53.836285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.836285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.836285 (E_RNA) where: Base-Base interactions energy: -24.365 where: short stacking energy: -15.398 Base-Backbone interact. energy: -0.010 local terms energy: -29.462119 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -2.171 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -46.447171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.447171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.447171 (E_RNA) where: Base-Base interactions energy: -17.004 where: short stacking energy: -17.004 Base-Backbone interact. energy: -0.020 local terms energy: -29.423387 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -45.943953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.943953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.943953 (E_RNA) where: Base-Base interactions energy: -16.635 where: short stacking energy: -15.243 Base-Backbone interact. energy: -0.029 local terms energy: -29.279944 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -43.734824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.734824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.734824 (E_RNA) where: Base-Base interactions energy: -15.524 where: short stacking energy: -15.524 Base-Backbone interact. energy: -0.001 local terms energy: -28.210198 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -4.038 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -61.497392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.497392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.497392 (E_RNA) where: Base-Base interactions energy: -27.073 where: short stacking energy: -26.269 Base-Backbone interact. energy: -0.037 local terms energy: -34.387878 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -7.013 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: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -71.928146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.928146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.928146 (E_RNA) where: Base-Base interactions energy: -34.918 where: short stacking energy: -34.918 Base-Backbone interact. energy: -0.000 local terms energy: -37.010108 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -5.397 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: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -50.638795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.638795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.638795 (E_RNA) where: Base-Base interactions energy: -24.696 where: short stacking energy: -13.545 Base-Backbone interact. energy: -0.110 local terms energy: -25.833227 where: bonds (distance) C4'-P energy: -5.824 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -7.156 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: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -49.404642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.404642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.404642 (E_RNA) where: Base-Base interactions energy: -18.637 where: short stacking energy: -18.637 Base-Backbone interact. energy: -0.055 local terms energy: -30.713135 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.616 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -5.755 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: 5, replica: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -51.699873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.699873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.699873 (E_RNA) where: Base-Base interactions energy: -16.638 where: short stacking energy: -16.638 Base-Backbone interact. energy: -0.073 local terms energy: -34.989301 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -57.558845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.558845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.558845 (E_RNA) where: Base-Base interactions energy: -25.294 where: short stacking energy: -25.294 Base-Backbone interact. energy: -0.000 local terms energy: -32.265278 where: bonds (distance) C4'-P energy: -5.200 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -46.782142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.782142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.782142 (E_RNA) where: Base-Base interactions energy: -17.847 where: short stacking energy: -17.847 Base-Backbone interact. energy: -0.080 local terms energy: -28.855307 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -47.010128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.010128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.010128 (E_RNA) where: Base-Base interactions energy: -17.021 where: short stacking energy: -17.021 Base-Backbone interact. energy: -0.153 local terms energy: -29.836227 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -42.697193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.697193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.697193 (E_RNA) where: Base-Base interactions energy: -18.039 where: short stacking energy: -18.039 Base-Backbone interact. energy: -0.001 local terms energy: -24.657148 where: bonds (distance) C4'-P energy: -0.856 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -38.647231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.647231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.647231 (E_RNA) where: Base-Base interactions energy: -16.156 where: short stacking energy: -11.894 Base-Backbone interact. energy: 0.161 local terms energy: -22.652593 where: bonds (distance) C4'-P energy: -4.972 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: 0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -65.222776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.222776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.222776 (E_RNA) where: Base-Base interactions energy: -26.594 where: short stacking energy: -26.594 Base-Backbone interact. energy: -0.015 local terms energy: -38.613154 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -6.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -61.627769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.627769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.627769 (E_RNA) where: Base-Base interactions energy: -24.396 where: short stacking energy: -21.734 Base-Backbone interact. energy: -0.000 local terms energy: -37.232078 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.403 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -69.341869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.341869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.341869 (E_RNA) where: Base-Base interactions energy: -31.946 where: short stacking energy: -31.946 Base-Backbone interact. energy: -0.000 local terms energy: -37.396357 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -9.697 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: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -65.191088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.191088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.191088 (E_RNA) where: Base-Base interactions energy: -31.595 where: short stacking energy: -20.245 Base-Backbone interact. energy: -0.002 local terms energy: -33.594500 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -5.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -58.855823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.855823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.855823 (E_RNA) where: Base-Base interactions energy: -25.263 where: short stacking energy: -25.263 Base-Backbone interact. energy: -0.004 local terms energy: -33.589122 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -44.740954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.740954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.740954 (E_RNA) where: Base-Base interactions energy: -17.860 where: short stacking energy: -17.860 Base-Backbone interact. energy: -0.114 local terms energy: -26.767381 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -2.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -50.869848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.869848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.869848 (E_RNA) where: Base-Base interactions energy: -28.437 where: short stacking energy: -8.119 Base-Backbone interact. energy: -0.062 local terms energy: -22.370487 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.701 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -47.299177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.299177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.299177 (E_RNA) where: Base-Base interactions energy: -16.762 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.060 local terms energy: -30.476622 where: bonds (distance) C4'-P energy: -6.641 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -3.426 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: -4.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -41.316885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.316885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.316885 (E_RNA) where: Base-Base interactions energy: -17.536 where: short stacking energy: -12.542 Base-Backbone interact. energy: -0.150 local terms energy: -23.631382 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -0.129 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -49.544798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.544798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.544798 (E_RNA) where: Base-Base interactions energy: -32.336 where: short stacking energy: -17.447 Base-Backbone interact. energy: 0.710 local terms energy: -17.919041 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: 0.057 tors. eta vs tors. theta energy: 1.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -70.454479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.454479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.454479 (E_RNA) where: Base-Base interactions energy: -30.692 where: short stacking energy: -30.692 Base-Backbone interact. energy: -0.000 local terms energy: -39.762538 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -9.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -65.137188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.137188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.137188 (E_RNA) where: Base-Base interactions energy: -27.455 where: short stacking energy: -27.455 Base-Backbone interact. energy: -0.000 local terms energy: -37.681563 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -7.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -55.708179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.708179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.708179 (E_RNA) where: Base-Base interactions energy: -29.543 where: short stacking energy: -16.032 Base-Backbone interact. energy: -0.085 local terms energy: -26.079805 where: bonds (distance) C4'-P energy: -4.702 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -58.950653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.950653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.950653 (E_RNA) where: Base-Base interactions energy: -25.612 where: short stacking energy: -15.546 Base-Backbone interact. energy: -0.007 local terms energy: -33.331910 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -59.918095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.918095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.918095 (E_RNA) where: Base-Base interactions energy: -25.374 where: short stacking energy: -24.340 Base-Backbone interact. energy: -0.014 local terms energy: -34.529923 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -5.990 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -7.206 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: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -52.579211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.579211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.579211 (E_RNA) where: Base-Base interactions energy: -20.684 where: short stacking energy: -19.130 Base-Backbone interact. energy: -0.002 local terms energy: -31.893636 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -4.910 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: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -47.803350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.803350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.803350 (E_RNA) where: Base-Base interactions energy: -21.547 where: short stacking energy: -18.338 Base-Backbone interact. energy: -0.004 local terms energy: -26.252601 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -42.836637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.836637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.836637 (E_RNA) where: Base-Base interactions energy: -13.873 where: short stacking energy: -13.873 Base-Backbone interact. energy: -0.000 local terms energy: -28.962929 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -4.338 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: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -46.583456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.583456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.583456 (E_RNA) where: Base-Base interactions energy: -17.461 where: short stacking energy: -16.512 Base-Backbone interact. energy: -0.001 local terms energy: -29.122267 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -44.487351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.487351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.487351 (E_RNA) where: Base-Base interactions energy: -16.144 where: short stacking energy: -15.142 Base-Backbone interact. energy: -0.071 local terms energy: -28.272266 where: bonds (distance) C4'-P energy: -4.316 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -4.097 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: 1, replica: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -69.724420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.724420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.724420 (E_RNA) where: Base-Base interactions energy: -30.274 where: short stacking energy: -30.274 Base-Backbone interact. energy: -0.000 local terms energy: -39.450114 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -10.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -58.675284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.675284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.675284 (E_RNA) where: Base-Base interactions energy: -24.893 where: short stacking energy: -24.893 Base-Backbone interact. energy: -0.002 local terms energy: -33.779899 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -5.272 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -7.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -65.562977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.562977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.562977 (E_RNA) where: Base-Base interactions energy: -25.136 where: short stacking energy: -25.136 Base-Backbone interact. energy: -0.053 local terms energy: -40.374796 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -6.338 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: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -60.523117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.523117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.523117 (E_RNA) where: Base-Base interactions energy: -29.969 where: short stacking energy: -19.825 Base-Backbone interact. energy: -0.000 local terms energy: -30.554036 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -4.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -46.511575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.511575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.511575 (E_RNA) where: Base-Base interactions energy: -16.153 where: short stacking energy: -16.153 Base-Backbone interact. energy: -0.016 local terms energy: -30.342692 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -44.122458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.122458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.122458 (E_RNA) where: Base-Base interactions energy: -17.152 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.167 local terms energy: -26.803952 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.804 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -45.446784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.446784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.446784 (E_RNA) where: Base-Base interactions energy: -17.205 where: short stacking energy: -17.205 Base-Backbone interact. energy: -0.005 local terms energy: -28.236729 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -41.318066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.318066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.318066 (E_RNA) where: Base-Base interactions energy: -12.561 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.874 local terms energy: -27.882581 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -41.405845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.405845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.405845 (E_RNA) where: Base-Base interactions energy: -11.042 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.011 local terms energy: -30.352290 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -46.786035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.786035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.786035 (E_RNA) where: Base-Base interactions energy: -16.999 where: short stacking energy: -16.999 Base-Backbone interact. energy: -0.027 local terms energy: -29.759431 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -68.272994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.272994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.272994 (E_RNA) where: Base-Base interactions energy: -35.223 where: short stacking energy: -23.670 Base-Backbone interact. energy: -0.049 local terms energy: -33.000682 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -4.797 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: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -61.632007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.632007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.632007 (E_RNA) where: Base-Base interactions energy: -29.642 where: short stacking energy: -29.642 Base-Backbone interact. energy: -0.014 local terms energy: -31.975701 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -7.141 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -53.096783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.096783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.096783 (E_RNA) where: Base-Base interactions energy: -23.752 where: short stacking energy: -23.752 Base-Backbone interact. energy: -0.000 local terms energy: -29.345092 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -54.315093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.315093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.315093 (E_RNA) where: Base-Base interactions energy: -25.042 where: short stacking energy: -25.042 Base-Backbone interact. energy: -0.183 local terms energy: -29.090226 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -4.966 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -3.267 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: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -53.987683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.987683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.987683 (E_RNA) where: Base-Base interactions energy: -24.972 where: short stacking energy: -24.972 Base-Backbone interact. energy: -0.023 local terms energy: -28.992669 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -5.237 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: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -51.857456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.857456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.857456 (E_RNA) where: Base-Base interactions energy: -22.361 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.585 local terms energy: -28.911969 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -42.687382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.687382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.687382 (E_RNA) where: Base-Base interactions energy: -15.588 where: short stacking energy: -15.588 Base-Backbone interact. energy: -0.075 local terms energy: -27.024187 where: bonds (distance) C4'-P energy: -0.336 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -44.773732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.773732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.773732 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -12.485 Base-Backbone interact. energy: -0.000 local terms energy: -31.939776 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -6.430 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -44.379809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.379809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.379809 (E_RNA) where: Base-Base interactions energy: -21.643 where: short stacking energy: -9.164 Base-Backbone interact. energy: -0.168 local terms energy: -22.568690 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: 4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -35.739963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.739963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.739963 (E_RNA) where: Base-Base interactions energy: -10.578 where: short stacking energy: -10.578 Base-Backbone interact. energy: -0.020 local terms energy: -25.141917 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -2.659 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: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -68.165996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.165996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.165996 (E_RNA) where: Base-Base interactions energy: -31.665 where: short stacking energy: -31.665 Base-Backbone interact. energy: -0.003 local terms energy: -36.498193 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -7.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -67.774588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.774588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.774588 (E_RNA) where: Base-Base interactions energy: -37.268 where: short stacking energy: -21.847 Base-Backbone interact. energy: -0.007 local terms energy: -30.499574 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -55.851077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.851077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.851077 (E_RNA) where: Base-Base interactions energy: -27.407 where: short stacking energy: -17.585 Base-Backbone interact. energy: -0.110 local terms energy: -28.334140 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -52.922313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.922313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.922313 (E_RNA) where: Base-Base interactions energy: -20.457 where: short stacking energy: -20.457 Base-Backbone interact. energy: -0.001 local terms energy: -32.464663 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -49.149061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.149061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.149061 (E_RNA) where: Base-Base interactions energy: -19.792 where: short stacking energy: -19.792 Base-Backbone interact. energy: -0.095 local terms energy: -29.262872 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -56.306541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.306541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.306541 (E_RNA) where: Base-Base interactions energy: -23.966 where: short stacking energy: -23.966 Base-Backbone interact. energy: -0.000 local terms energy: -32.340076 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -6.994 flat angles C4'-P-C4' energy: -3.700 flat angles P-C4'-P energy: -5.764 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: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -51.097423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.097423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.097423 (E_RNA) where: Base-Base interactions energy: -18.781 where: short stacking energy: -18.781 Base-Backbone interact. energy: -0.000 local terms energy: -32.315845 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -4.703 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: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -45.519288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.519288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.519288 (E_RNA) where: Base-Base interactions energy: -19.326 where: short stacking energy: -12.952 Base-Backbone interact. energy: -0.004 local terms energy: -26.189036 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -0.787 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -42.559032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.559032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.559032 (E_RNA) where: Base-Base interactions energy: -17.457 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.192 local terms energy: -24.909619 where: bonds (distance) C4'-P energy: -3.386 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -37.876251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.876251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.876251 (E_RNA) where: Base-Base interactions energy: -16.484 where: short stacking energy: -16.484 Base-Backbone interact. energy: -0.015 local terms energy: -21.377453 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: 1.809 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: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -66.281523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.281523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.281523 (E_RNA) where: Base-Base interactions energy: -27.532 where: short stacking energy: -27.532 Base-Backbone interact. energy: -0.018 local terms energy: -38.731150 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -7.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -69.558701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.558701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.558701 (E_RNA) where: Base-Base interactions energy: -31.986 where: short stacking energy: -31.986 Base-Backbone interact. energy: -0.001 local terms energy: -37.570867 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -9.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -51.085339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.085339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.085339 (E_RNA) where: Base-Base interactions energy: -17.969 where: short stacking energy: -17.969 Base-Backbone interact. energy: -0.000 local terms energy: -33.116259 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -4.648 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: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -54.292040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.292040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.292040 (E_RNA) where: Base-Base interactions energy: -23.738 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.702 local terms energy: -29.852312 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -4.735 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: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -47.207344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.207344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.207344 (E_RNA) where: Base-Base interactions energy: -16.724 where: short stacking energy: -12.868 Base-Backbone interact. energy: 0.718 local terms energy: -31.201113 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -49.538543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.538543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.538543 (E_RNA) where: Base-Base interactions energy: -19.722 where: short stacking energy: -11.442 Base-Backbone interact. energy: -0.551 local terms energy: -29.265494 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -47.720544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.720544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.720544 (E_RNA) where: Base-Base interactions energy: -19.033 where: short stacking energy: -15.956 Base-Backbone interact. energy: -0.069 local terms energy: -28.618624 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -8.420 flat angles P-C4'-P energy: -2.744 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: 8, replica: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -43.574015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.574015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.574015 (E_RNA) where: Base-Base interactions energy: -14.966 where: short stacking energy: -14.966 Base-Backbone interact. energy: -0.073 local terms energy: -28.534496 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -48.681598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.681598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.681598 (E_RNA) where: Base-Base interactions energy: -18.338 where: short stacking energy: -15.572 Base-Backbone interact. energy: -1.029 local terms energy: -29.314738 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -42.988921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.988921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.988921 (E_RNA) where: Base-Base interactions energy: -16.669 where: short stacking energy: -16.669 Base-Backbone interact. energy: 1.717 local terms energy: -28.037007 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -70.957172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.957172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.957172 (E_RNA) where: Base-Base interactions energy: -32.611 where: short stacking energy: -28.499 Base-Backbone interact. energy: -0.002 local terms energy: -38.344673 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -6.033 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: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -73.801582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.801582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.801582 (E_RNA) where: Base-Base interactions energy: -35.678 where: short stacking energy: -35.678 Base-Backbone interact. energy: -0.000 local terms energy: -38.123153 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -11.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -63.082815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.082815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.082815 (E_RNA) where: Base-Base interactions energy: -29.846 where: short stacking energy: -23.929 Base-Backbone interact. energy: 0.523 local terms energy: -33.760208 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -5.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -59.358623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.358623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.358623 (E_RNA) where: Base-Base interactions energy: -27.027 where: short stacking energy: -26.910 Base-Backbone interact. energy: -0.066 local terms energy: -32.265563 where: bonds (distance) C4'-P energy: -7.397 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -3.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -51.591378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.591378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.591378 (E_RNA) where: Base-Base interactions energy: -19.517 where: short stacking energy: -19.517 Base-Backbone interact. energy: -0.038 local terms energy: -32.036480 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -51.915074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.915074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.915074 (E_RNA) where: Base-Base interactions energy: -19.945 where: short stacking energy: -19.945 Base-Backbone interact. energy: -0.000 local terms energy: -31.969914 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -4.782 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: 7, replica: 3 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -51.038416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.038416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.038416 (E_RNA) where: Base-Base interactions energy: -19.430 where: short stacking energy: -19.430 Base-Backbone interact. energy: -0.014 local terms energy: -31.594515 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -41.450511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.450511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.450511 (E_RNA) where: Base-Base interactions energy: -14.012 where: short stacking energy: -14.012 Base-Backbone interact. energy: -0.108 local terms energy: -27.331112 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.808 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -47.980965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.980965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.980965 (E_RNA) where: Base-Base interactions energy: -23.340 where: short stacking energy: -18.439 Base-Backbone interact. energy: -0.002 local terms energy: -24.638322 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -2.089 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -43.518501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.518501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.518501 (E_RNA) where: Base-Base interactions energy: -13.267 where: short stacking energy: -13.267 Base-Backbone interact. energy: -0.799 local terms energy: -29.452437 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: 0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -64.891861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.891861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.891861 (E_RNA) where: Base-Base interactions energy: -29.639 where: short stacking energy: -29.639 Base-Backbone interact. energy: -0.006 local terms energy: -35.246029 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -3.568 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: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -63.538390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.538390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.538390 (E_RNA) where: Base-Base interactions energy: -32.373 where: short stacking energy: -24.630 Base-Backbone interact. energy: -0.031 local terms energy: -31.134808 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -4.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -62.030125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.030125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.030125 (E_RNA) where: Base-Base interactions energy: -26.056 where: short stacking energy: -26.056 Base-Backbone interact. energy: -0.001 local terms energy: -35.973782 where: bonds (distance) C4'-P energy: -7.562 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -8.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -51.763612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.763612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.763612 (E_RNA) where: Base-Base interactions energy: -20.662 where: short stacking energy: -20.662 Base-Backbone interact. energy: -0.004 local terms energy: -31.097209 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -53.457007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.457007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.457007 (E_RNA) where: Base-Base interactions energy: -23.882 where: short stacking energy: -23.882 Base-Backbone interact. energy: -0.024 local terms energy: -29.550528 where: bonds (distance) C4'-P energy: -1.291 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -9.227 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -47.490730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.490730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.490730 (E_RNA) where: Base-Base interactions energy: -21.924 where: short stacking energy: -21.924 Base-Backbone interact. energy: 1.261 local terms energy: -26.828198 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -5.502 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -38.809553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.809553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.809553 (E_RNA) where: Base-Base interactions energy: -16.551 where: short stacking energy: -16.551 Base-Backbone interact. energy: -0.196 local terms energy: -22.062341 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -50.131890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.131890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.131890 (E_RNA) where: Base-Base interactions energy: -19.636 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.652 local terms energy: -29.843279 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -47.846656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.846656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.846656 (E_RNA) where: Base-Base interactions energy: -16.635 where: short stacking energy: -16.635 Base-Backbone interact. energy: -0.002 local terms energy: -31.209221 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.459 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -39.294743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.294743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.294743 (E_RNA) where: Base-Base interactions energy: -12.243 where: short stacking energy: -12.243 Base-Backbone interact. energy: 0.564 local terms energy: -27.615543 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -64.144456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.144456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.144456 (E_RNA) where: Base-Base interactions energy: -30.251 where: short stacking energy: -30.251 Base-Backbone interact. energy: -0.012 local terms energy: -33.882099 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -5.163 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: 2, replica: 7 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -56.991538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.991538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.991538 (E_RNA) where: Base-Base interactions energy: -25.908 where: short stacking energy: -25.908 Base-Backbone interact. energy: -0.035 local terms energy: -31.048611 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -66.547957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.547957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.547957 (E_RNA) where: Base-Base interactions energy: -28.970 where: short stacking energy: -28.859 Base-Backbone interact. energy: -0.000 local terms energy: -37.578047 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -7.750 flat angles P-C4'-P energy: -4.601 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: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -58.324025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.324025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.324025 (E_RNA) where: Base-Base interactions energy: -24.107 where: short stacking energy: -23.820 Base-Backbone interact. energy: -0.000 local terms energy: -34.216958 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -9.075 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -49.582465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.582465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.582465 (E_RNA) where: Base-Base interactions energy: -22.354 where: short stacking energy: -15.507 Base-Backbone interact. energy: 0.242 local terms energy: -27.470391 where: bonds (distance) C4'-P energy: -6.076 bonds (distance) P-C4' energy: -7.162 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -4.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -49.126810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.126810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.126810 (E_RNA) where: Base-Base interactions energy: -16.241 where: short stacking energy: -16.241 Base-Backbone interact. energy: -0.000 local terms energy: -32.885400 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -44.075764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.075764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.075764 (E_RNA) where: Base-Base interactions energy: -15.661 where: short stacking energy: -15.661 Base-Backbone interact. energy: -0.187 local terms energy: -28.227842 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -44.519787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.519787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.519787 (E_RNA) where: Base-Base interactions energy: -14.429 where: short stacking energy: -14.429 Base-Backbone interact. energy: -0.000 local terms energy: -30.090453 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.996 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -43.593251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.593251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.593251 (E_RNA) where: Base-Base interactions energy: -18.860 where: short stacking energy: -18.860 Base-Backbone interact. energy: -0.003 local terms energy: -24.730748 where: bonds (distance) C4'-P energy: -3.511 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -45.315659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.315659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.315659 (E_RNA) where: Base-Base interactions energy: -16.065 where: short stacking energy: -16.065 Base-Backbone interact. energy: -0.210 local terms energy: -29.040839 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -2.580 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -67.982035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.982035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.982035 (E_RNA) where: Base-Base interactions energy: -31.139 where: short stacking energy: -28.030 Base-Backbone interact. energy: -0.049 local terms energy: -36.793877 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -7.289 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: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -71.269787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.269787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.269787 (E_RNA) where: Base-Base interactions energy: -37.951 where: short stacking energy: -23.794 Base-Backbone interact. energy: -0.003 local terms energy: -33.315681 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -2.102 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: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -51.159953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.159953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.159953 (E_RNA) where: Base-Base interactions energy: -18.805 where: short stacking energy: -18.805 Base-Backbone interact. energy: -0.001 local terms energy: -32.353778 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -54.608515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.608515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.608515 (E_RNA) where: Base-Base interactions energy: -28.795 where: short stacking energy: -24.375 Base-Backbone interact. energy: -0.220 local terms energy: -25.593484 where: bonds (distance) C4'-P energy: -5.593 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -2.261 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -6.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -53.710391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.710391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.710391 (E_RNA) where: Base-Base interactions energy: -27.210 where: short stacking energy: -19.767 Base-Backbone interact. energy: -0.051 local terms energy: -26.449687 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -3.000 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: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -51.363347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.363347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.363347 (E_RNA) where: Base-Base interactions energy: -22.620 where: short stacking energy: -13.559 Base-Backbone interact. energy: 1.362 local terms energy: -30.105919 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -4.332 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: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -48.786153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.786153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.786153 (E_RNA) where: Base-Base interactions energy: -17.595 where: short stacking energy: -17.595 Base-Backbone interact. energy: -0.006 local terms energy: -31.186031 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -6.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -46.165592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.165592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.165592 (E_RNA) where: Base-Base interactions energy: -22.655 where: short stacking energy: -13.886 Base-Backbone interact. energy: -0.091 local terms energy: -23.418806 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.717 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -1.374 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -42.738621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.738621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.738621 (E_RNA) where: Base-Base interactions energy: -22.220 where: short stacking energy: -8.792 Base-Backbone interact. energy: -0.116 local terms energy: -20.403390 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -4.481 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -1.469 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: 10, replica: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -43.946132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.946132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.946132 (E_RNA) where: Base-Base interactions energy: -20.280 where: short stacking energy: -14.059 Base-Backbone interact. energy: -0.094 local terms energy: -23.572253 where: bonds (distance) C4'-P energy: -1.696 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -2.363 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: 1 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -71.169563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.169563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.169563 (E_RNA) where: Base-Base interactions energy: -34.226 where: short stacking energy: -24.881 Base-Backbone interact. energy: -0.014 local terms energy: -36.929417 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -6.253 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: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -62.435534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.435534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.435534 (E_RNA) where: Base-Base interactions energy: -23.341 where: short stacking energy: -23.341 Base-Backbone interact. energy: -0.075 local terms energy: -39.019994 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -7.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -53.325081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.325081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.325081 (E_RNA) where: Base-Base interactions energy: -21.559 where: short stacking energy: -14.817 Base-Backbone interact. energy: -0.078 local terms energy: -31.687855 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -6.850 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: 4, replica: 7 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -56.547910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.547910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.547910 (E_RNA) where: Base-Base interactions energy: -25.606 where: short stacking energy: -23.094 Base-Backbone interact. energy: -0.086 local terms energy: -30.856650 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -53.593622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.593622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.593622 (E_RNA) where: Base-Base interactions energy: -20.652 where: short stacking energy: -20.491 Base-Backbone interact. energy: -0.012 local terms energy: -32.929356 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -47.846422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.846422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.846422 (E_RNA) where: Base-Base interactions energy: -20.044 where: short stacking energy: -20.044 Base-Backbone interact. energy: -0.043 local terms energy: -27.759944 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -2.684 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: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -46.047534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.047534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.047534 (E_RNA) where: Base-Base interactions energy: -16.455 where: short stacking energy: -16.455 Base-Backbone interact. energy: -0.025 local terms energy: -29.567585 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -49.444690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.444690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.444690 (E_RNA) where: Base-Base interactions energy: -23.815 where: short stacking energy: -15.861 Base-Backbone interact. energy: -0.095 local terms energy: -25.534657 where: bonds (distance) C4'-P energy: -4.955 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -42.137591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.137591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.137591 (E_RNA) where: Base-Base interactions energy: -15.220 where: short stacking energy: -15.220 Base-Backbone interact. energy: 1.665 local terms energy: -28.582469 where: bonds (distance) C4'-P energy: -3.390 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -44.329851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.329851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.329851 (E_RNA) where: Base-Base interactions energy: -14.357 where: short stacking energy: -14.069 Base-Backbone interact. energy: -0.043 local terms energy: -29.929791 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -61.981124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.981124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.981124 (E_RNA) where: Base-Base interactions energy: -23.882 where: short stacking energy: -23.882 Base-Backbone interact. energy: -0.114 local terms energy: -37.984990 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -4.965 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: 2, replica: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -72.453520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.453520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.453520 (E_RNA) where: Base-Base interactions energy: -31.966 where: short stacking energy: -31.966 Base-Backbone interact. energy: -0.000 local terms energy: -40.487528 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -6.457 tors. eta vs tors. theta energy: -11.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -59.229326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.229326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.229326 (E_RNA) where: Base-Base interactions energy: -25.785 where: short stacking energy: -25.785 Base-Backbone interact. energy: -0.007 local terms energy: -33.437337 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -6.046 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: 4, replica: 7 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -55.064221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.064221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.064221 (E_RNA) where: Base-Base interactions energy: -22.321 where: short stacking energy: -17.842 Base-Backbone interact. energy: -0.004 local terms energy: -32.738915 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -6.065 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: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -51.978515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.978515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.978515 (E_RNA) where: Base-Base interactions energy: -20.337 where: short stacking energy: -20.337 Base-Backbone interact. energy: -0.061 local terms energy: -31.580226 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.093 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -53.464303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.464303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.464303 (E_RNA) where: Base-Base interactions energy: -19.989 where: short stacking energy: -19.989 Base-Backbone interact. energy: -0.005 local terms energy: -33.469854 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -9.200 flat angles P-C4'-P energy: -3.342 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: 7, replica: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -45.403799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.403799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.403799 (E_RNA) where: Base-Base interactions energy: -15.192 where: short stacking energy: -15.192 Base-Backbone interact. energy: -0.145 local terms energy: -30.067122 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -3.738 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: 355 Temperature: 1.250000 Total energy: -40.003879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.003879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.003879 (E_RNA) where: Base-Base interactions energy: -16.101 where: short stacking energy: -16.101 Base-Backbone interact. energy: -0.084 local terms energy: -23.818160 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -2.192 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -40.095484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.095484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.095484 (E_RNA) where: Base-Base interactions energy: -18.099 where: short stacking energy: -13.416 Base-Backbone interact. energy: -0.503 local terms energy: -21.493120 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -1.934 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -38.269814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.269814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.269814 (E_RNA) where: Base-Base interactions energy: -16.885 where: short stacking energy: -16.885 Base-Backbone interact. energy: -0.009 local terms energy: -21.375509 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -1.144 tors. eta vs tors. theta energy: 0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -66.017258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.017258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.017258 (E_RNA) where: Base-Base interactions energy: -29.681 where: short stacking energy: -29.681 Base-Backbone interact. energy: -0.000 local terms energy: -36.335929 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -9.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -55.933333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.933333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.933333 (E_RNA) where: Base-Base interactions energy: -22.190 where: short stacking energy: -18.595 Base-Backbone interact. energy: -0.068 local terms energy: -33.674673 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -58.981618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.981618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.981618 (E_RNA) where: Base-Base interactions energy: -27.904 where: short stacking energy: -27.904 Base-Backbone interact. energy: -0.051 local terms energy: -31.025925 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -4.221 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -5.351 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: 4, replica: 7 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -54.256935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.256935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.256935 (E_RNA) where: Base-Base interactions energy: -20.857 where: short stacking energy: -19.160 Base-Backbone interact. energy: 0.639 local terms energy: -34.039724 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -5.844 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: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -51.516796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.516796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.516796 (E_RNA) where: Base-Base interactions energy: -22.983 where: short stacking energy: -22.983 Base-Backbone interact. energy: -0.002 local terms energy: -28.531777 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -7.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -53.118897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.118897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.118897 (E_RNA) where: Base-Base interactions energy: -20.945 where: short stacking energy: -20.945 Base-Backbone interact. energy: -0.003 local terms energy: -32.170812 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -8.204 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -45.583255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.583255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.583255 (E_RNA) where: Base-Base interactions energy: -17.371 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.006 local terms energy: -28.206252 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -48.129209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.129209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.129209 (E_RNA) where: Base-Base interactions energy: -14.672 where: short stacking energy: -14.672 Base-Backbone interact. energy: -0.009 local terms energy: -33.449153 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -46.351865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.351865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.351865 (E_RNA) where: Base-Base interactions energy: -16.932 where: short stacking energy: -16.932 Base-Backbone interact. energy: -0.002 local terms energy: -29.417180 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -41.161297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.161297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.161297 (E_RNA) where: Base-Base interactions energy: -14.887 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.160 local terms energy: -26.114890 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -67.949964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.949964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.949964 (E_RNA) where: Base-Base interactions energy: -31.427 where: short stacking energy: -31.427 Base-Backbone interact. energy: -0.002 local terms energy: -36.520433 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -5.352 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: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -57.901282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.901282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.901282 (E_RNA) where: Base-Base interactions energy: -22.367 where: short stacking energy: -22.367 Base-Backbone interact. energy: -0.000 local terms energy: -35.533887 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -7.278 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: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -61.239937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.239937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.239937 (E_RNA) where: Base-Base interactions energy: -28.639 where: short stacking energy: -28.639 Base-Backbone interact. energy: -0.001 local terms energy: -32.599499 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -5.008 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -5.320 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: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -51.456584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.456584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.456584 (E_RNA) where: Base-Base interactions energy: -21.710 where: short stacking energy: -19.314 Base-Backbone interact. energy: -0.087 local terms energy: -29.659567 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -0.932 tors. eta vs tors. theta energy: -3.649 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: 7 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -53.299004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.299004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.299004 (E_RNA) where: Base-Base interactions energy: -20.033 where: short stacking energy: -19.768 Base-Backbone interact. energy: -0.007 local terms energy: -33.258870 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -59.668560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.668560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.668560 (E_RNA) where: Base-Base interactions energy: -29.273 where: short stacking energy: -19.293 Base-Backbone interact. energy: -0.012 local terms energy: -30.384003 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -5.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -44.421491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.421491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.421491 (E_RNA) where: Base-Base interactions energy: -19.204 where: short stacking energy: -19.204 Base-Backbone interact. energy: -0.014 local terms energy: -25.202861 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -6.459 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -40.976734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.976734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.976734 (E_RNA) where: Base-Base interactions energy: -13.773 where: short stacking energy: -13.773 Base-Backbone interact. energy: -0.151 local terms energy: -27.052644 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -9.100 flat angles P-C4'-P energy: -0.717 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -49.408845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.408845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.408845 (E_RNA) where: Base-Base interactions energy: -17.311 where: short stacking energy: -17.311 Base-Backbone interact. energy: -0.010 local terms energy: -32.087618 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -6.771 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: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -40.111813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.111813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.111813 (E_RNA) where: Base-Base interactions energy: -12.731 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.039 local terms energy: -27.341672 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -66.136229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.136229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.136229 (E_RNA) where: Base-Base interactions energy: -31.702 where: short stacking energy: -29.018 Base-Backbone interact. energy: -0.001 local terms energy: -34.433225 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -6.126 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: 2, replica: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -60.368986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.368986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.368986 (E_RNA) where: Base-Base interactions energy: -26.977 where: short stacking energy: -26.977 Base-Backbone interact. energy: -0.001 local terms energy: -33.391519 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.396 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -7.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -65.671218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.671218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.671218 (E_RNA) where: Base-Base interactions energy: -30.387 where: short stacking energy: -20.435 Base-Backbone interact. energy: -0.001 local terms energy: -35.283095 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -5.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -55.067940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.067940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.067940 (E_RNA) where: Base-Base interactions energy: -20.152 where: short stacking energy: -20.152 Base-Backbone interact. energy: -0.065 local terms energy: -34.850819 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -52.786175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.786175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.786175 (E_RNA) where: Base-Base interactions energy: -24.567 where: short stacking energy: -15.744 Base-Backbone interact. energy: -0.019 local terms energy: -28.200429 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -4.962 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: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -53.676341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.676341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.676341 (E_RNA) where: Base-Base interactions energy: -21.006 where: short stacking energy: -16.054 Base-Backbone interact. energy: -0.021 local terms energy: -32.650067 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -53.138367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.138367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.138367 (E_RNA) where: Base-Base interactions energy: -18.571 where: short stacking energy: -18.571 Base-Backbone interact. energy: -0.000 local terms energy: -34.566789 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -46.000821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.000821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.000821 (E_RNA) where: Base-Base interactions energy: -15.182 where: short stacking energy: -15.182 Base-Backbone interact. energy: -0.001 local terms energy: -30.818358 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -46.648177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.648177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.648177 (E_RNA) where: Base-Base interactions energy: -12.285 where: short stacking energy: -12.285 Base-Backbone interact. energy: -0.078 local terms energy: -34.284682 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -43.875778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.875778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.875778 (E_RNA) where: Base-Base interactions energy: -19.031 where: short stacking energy: -16.315 Base-Backbone interact. energy: -0.080 local terms energy: -24.764470 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -4.366 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -5.319 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: 1, replica: 5 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -60.417941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.417941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.417941 (E_RNA) where: Base-Base interactions energy: -23.486 where: short stacking energy: -23.486 Base-Backbone interact. energy: -0.005 local terms energy: -36.926308 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.954 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: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -71.762069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.762069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.762069 (E_RNA) where: Base-Base interactions energy: -37.102 where: short stacking energy: -20.348 Base-Backbone interact. energy: -0.327 local terms energy: -34.333231 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -60.428561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.428561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.428561 (E_RNA) where: Base-Base interactions energy: -25.698 where: short stacking energy: -25.698 Base-Backbone interact. energy: -0.000 local terms energy: -34.730681 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -8.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -60.781439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.781439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.781439 (E_RNA) where: Base-Base interactions energy: -23.948 where: short stacking energy: -21.285 Base-Backbone interact. energy: -0.098 local terms energy: -36.736209 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -47.718594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.718594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.718594 (E_RNA) where: Base-Base interactions energy: -17.221 where: short stacking energy: -17.221 Base-Backbone interact. energy: -0.027 local terms energy: -30.470121 where: bonds (distance) C4'-P energy: -6.803 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -6.283 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: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -57.821200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.821200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.821200 (E_RNA) where: Base-Base interactions energy: -30.524 where: short stacking energy: -15.960 Base-Backbone interact. energy: -0.000 local terms energy: -27.296474 where: bonds (distance) C4'-P energy: -2.575 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -49.619055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.619055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.619055 (E_RNA) where: Base-Base interactions energy: -19.684 where: short stacking energy: -11.102 Base-Backbone interact. energy: -0.002 local terms energy: -29.933837 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -3.457 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: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -54.448566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.448566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.448566 (E_RNA) where: Base-Base interactions energy: -24.746 where: short stacking energy: -17.485 Base-Backbone interact. energy: -0.060 local terms energy: -29.642699 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -48.762803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.762803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.762803 (E_RNA) where: Base-Base interactions energy: -18.345 where: short stacking energy: -18.345 Base-Backbone interact. energy: -0.010 local terms energy: -30.408050 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -5.540 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: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -48.959796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.959796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.959796 (E_RNA) where: Base-Base interactions energy: -17.315 where: short stacking energy: -16.972 Base-Backbone interact. energy: -0.013 local terms energy: -31.631849 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -6.408 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: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -63.199265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.199265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.199265 (E_RNA) where: Base-Base interactions energy: -30.895 where: short stacking energy: -30.895 Base-Backbone interact. energy: -0.026 local terms energy: -32.279046 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -60.151048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.151048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.151048 (E_RNA) where: Base-Base interactions energy: -25.233 where: short stacking energy: -25.233 Base-Backbone interact. energy: -0.000 local terms energy: -34.917757 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -6.574 tors. eta vs tors. theta energy: -5.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -54.368350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.368350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.368350 (E_RNA) where: Base-Base interactions energy: -18.775 where: short stacking energy: -18.775 Base-Backbone interact. energy: -0.000 local terms energy: -35.593303 where: bonds (distance) C4'-P energy: -5.791 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -6.025 tors. eta vs tors. theta energy: -7.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -55.199275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.199275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.199275 (E_RNA) where: Base-Base interactions energy: -24.665 where: short stacking energy: -24.665 Base-Backbone interact. energy: -0.001 local terms energy: -30.533929 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -53.281689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.281689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.281689 (E_RNA) where: Base-Base interactions energy: -20.383 where: short stacking energy: -20.383 Base-Backbone interact. energy: -0.063 local terms energy: -32.834916 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -50.494061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.494061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.494061 (E_RNA) where: Base-Base interactions energy: -19.342 where: short stacking energy: -19.342 Base-Backbone interact. energy: -0.033 local terms energy: -31.118295 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -49.868579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.868579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.868579 (E_RNA) where: Base-Base interactions energy: -18.310 where: short stacking energy: -18.310 Base-Backbone interact. energy: -0.057 local terms energy: -31.501785 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -7.252 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -46.824826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.824826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.824826 (E_RNA) where: Base-Base interactions energy: -16.781 where: short stacking energy: -16.781 Base-Backbone interact. energy: -0.029 local terms energy: -30.014027 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -40.174221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.174221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.174221 (E_RNA) where: Base-Base interactions energy: -17.640 where: short stacking energy: -9.287 Base-Backbone interact. energy: -0.025 local terms energy: -22.509849 where: bonds (distance) C4'-P energy: -5.878 bonds (distance) P-C4' energy: -6.586 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -40.780626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.780626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.780626 (E_RNA) where: Base-Base interactions energy: -10.951 where: short stacking energy: -10.178 Base-Backbone interact. energy: -0.049 local terms energy: -29.780781 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -60.420350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.420350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.420350 (E_RNA) where: Base-Base interactions energy: -26.810 where: short stacking energy: -26.810 Base-Backbone interact. energy: -0.001 local terms energy: -33.608668 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -5.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -64.811127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.811127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.811127 (E_RNA) where: Base-Base interactions energy: -34.054 where: short stacking energy: -15.482 Base-Backbone interact. energy: -0.019 local terms energy: -30.737827 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -7.296 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -2.906 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: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -62.400998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.400998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.400998 (E_RNA) where: Base-Base interactions energy: -24.264 where: short stacking energy: -24.264 Base-Backbone interact. energy: -0.000 local terms energy: -38.136378 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -54.057160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.057160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.057160 (E_RNA) where: Base-Base interactions energy: -17.873 where: short stacking energy: -13.399 Base-Backbone interact. energy: -0.000 local terms energy: -36.183600 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -60.869533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.869533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.869533 (E_RNA) where: Base-Base interactions energy: -26.594 where: short stacking energy: -26.594 Base-Backbone interact. energy: -0.006 local terms energy: -34.269860 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -5.848 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: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -54.276484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.276484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.276484 (E_RNA) where: Base-Base interactions energy: -23.337 where: short stacking energy: -23.337 Base-Backbone interact. energy: -0.001 local terms energy: -30.938900 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -6.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -48.512560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.512560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.512560 (E_RNA) where: Base-Base interactions energy: -17.135 where: short stacking energy: -17.135 Base-Backbone interact. energy: -0.017 local terms energy: -31.360848 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -3.048 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: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -47.922275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.922275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.922275 (E_RNA) where: Base-Base interactions energy: -17.933 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.168 local terms energy: -29.821000 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -47.884079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.884079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.884079 (E_RNA) where: Base-Base interactions energy: -15.709 where: short stacking energy: -15.709 Base-Backbone interact. energy: -0.041 local terms energy: -32.133185 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -45.021759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.021759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.021759 (E_RNA) where: Base-Base interactions energy: -17.588 where: short stacking energy: -17.588 Base-Backbone interact. energy: -0.000 local terms energy: -27.433876 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -5.820 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: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -72.932821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.932821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.932821 (E_RNA) where: Base-Base interactions energy: -39.466 where: short stacking energy: -20.588 Base-Backbone interact. energy: -0.039 local terms energy: -33.427334 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -4.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -54.900223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.900223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.900223 (E_RNA) where: Base-Base interactions energy: -20.040 where: short stacking energy: -20.040 Base-Backbone interact. energy: -0.000 local terms energy: -34.860192 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -4.184 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: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -61.772061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.772061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.772061 (E_RNA) where: Base-Base interactions energy: -27.868 where: short stacking energy: -27.868 Base-Backbone interact. energy: -0.112 local terms energy: -33.792740 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -6.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -55.160520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.160520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.160520 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.005 local terms energy: -35.584474 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -56.975345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.975345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.975345 (E_RNA) where: Base-Base interactions energy: -22.258 where: short stacking energy: -22.258 Base-Backbone interact. energy: -0.000 local terms energy: -34.717304 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -7.049 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: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -46.303663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.303663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.303663 (E_RNA) where: Base-Base interactions energy: -16.378 where: short stacking energy: -15.751 Base-Backbone interact. energy: -0.003 local terms energy: -29.922957 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -47.231499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.231499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.231499 (E_RNA) where: Base-Base interactions energy: -18.043 where: short stacking energy: -18.043 Base-Backbone interact. energy: 0.081 local terms energy: -29.269185 where: bonds (distance) C4'-P energy: -4.772 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -5.363 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: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -41.841191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.841191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.841191 (E_RNA) where: Base-Base interactions energy: -15.191 where: short stacking energy: -15.191 Base-Backbone interact. energy: -0.196 local terms energy: -26.454909 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -43.749460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.749460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.749460 (E_RNA) where: Base-Base interactions energy: -15.771 where: short stacking energy: -15.771 Base-Backbone interact. energy: -0.101 local terms energy: -27.877107 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -5.281 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -6.256 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: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -39.970744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.970744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.970744 (E_RNA) where: Base-Base interactions energy: -15.506 where: short stacking energy: -15.506 Base-Backbone interact. energy: -0.059 local terms energy: -24.405834 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: 0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -63.709109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.709109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.709109 (E_RNA) where: Base-Base interactions energy: -26.021 where: short stacking energy: -21.061 Base-Backbone interact. energy: -0.023 local terms energy: -37.664396 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -6.051 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: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -48.460767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.460767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.460767 (E_RNA) where: Base-Base interactions energy: -22.020 where: short stacking energy: -21.704 Base-Backbone interact. energy: -0.212 local terms energy: -26.228910 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -4.642 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: 3, replica: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -63.585420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.585420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.585420 (E_RNA) where: Base-Base interactions energy: -30.763 where: short stacking energy: -30.763 Base-Backbone interact. energy: -0.034 local terms energy: -32.788985 where: bonds (distance) C4'-P energy: -5.113 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -8.056 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: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -58.582972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.582972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.582972 (E_RNA) where: Base-Base interactions energy: -23.317 where: short stacking energy: -21.532 Base-Backbone interact. energy: -0.071 local terms energy: -35.194997 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -5.238 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: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -53.066573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.066573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.066573 (E_RNA) where: Base-Base interactions energy: -20.302 where: short stacking energy: -20.302 Base-Backbone interact. energy: -0.009 local terms energy: -32.755788 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -63.916326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.916326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.916326 (E_RNA) where: Base-Base interactions energy: -31.147 where: short stacking energy: -31.147 Base-Backbone interact. energy: -0.000 local terms energy: -32.769021 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -5.731 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -8.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -47.745304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.745304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.745304 (E_RNA) where: Base-Base interactions energy: -18.217 where: short stacking energy: -13.994 Base-Backbone interact. energy: -0.026 local terms energy: -29.501865 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: 1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -45.122928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.122928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.122928 (E_RNA) where: Base-Base interactions energy: -17.165 where: short stacking energy: -17.000 Base-Backbone interact. energy: -0.178 local terms energy: -27.779711 where: bonds (distance) C4'-P energy: -2.714 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -43.888400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.888400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.888400 (E_RNA) where: Base-Base interactions energy: -16.973 where: short stacking energy: -16.973 Base-Backbone interact. energy: -0.001 local terms energy: -26.914110 where: bonds (distance) C4'-P energy: -5.850 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -46.343184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.343184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.343184 (E_RNA) where: Base-Base interactions energy: -19.803 where: short stacking energy: -16.854 Base-Backbone interact. energy: -0.784 local terms energy: -25.756776 where: bonds (distance) C4'-P energy: -5.066 bonds (distance) P-C4' energy: -6.449 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -1.969 tors. eta vs tors. theta energy: -6.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -80.838058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.838058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.838058 (E_RNA) where: Base-Base interactions energy: -45.987 where: short stacking energy: -25.506 Base-Backbone interact. energy: -0.319 local terms energy: -34.531968 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -63.274492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.274492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.274492 (E_RNA) where: Base-Base interactions energy: -27.128 where: short stacking energy: -27.128 Base-Backbone interact. energy: -0.000 local terms energy: -36.145793 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -6.148 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: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -59.469991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.469991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.469991 (E_RNA) where: Base-Base interactions energy: -24.522 where: short stacking energy: -24.522 Base-Backbone interact. energy: -0.000 local terms energy: -34.947828 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -5.964 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: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -53.167240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.167240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.167240 (E_RNA) where: Base-Base interactions energy: -23.756 where: short stacking energy: -23.272 Base-Backbone interact. energy: -0.034 local terms energy: -29.376781 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -4.588 flat angles C4'-P-C4' energy: -8.699 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -52.442896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.442896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.442896 (E_RNA) where: Base-Base interactions energy: -25.184 where: short stacking energy: -25.184 Base-Backbone interact. energy: -0.000 local terms energy: -27.259205 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -51.452093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.452093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.452093 (E_RNA) where: Base-Base interactions energy: -22.665 where: short stacking energy: -22.665 Base-Backbone interact. energy: -0.000 local terms energy: -28.786554 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -2.553 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -6.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -46.930416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.930416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.930416 (E_RNA) where: Base-Base interactions energy: -15.945 where: short stacking energy: -12.673 Base-Backbone interact. energy: -0.116 local terms energy: -30.869660 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -4.883 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: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -46.981789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.981789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.981789 (E_RNA) where: Base-Base interactions energy: -17.477 where: short stacking energy: -16.327 Base-Backbone interact. energy: -0.041 local terms energy: -29.464256 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -8.011 flat angles P-C4'-P energy: -5.071 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: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -46.101040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.101040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.101040 (E_RNA) where: Base-Base interactions energy: -16.035 where: short stacking energy: -16.035 Base-Backbone interact. energy: -0.000 local terms energy: -30.066199 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -44.846725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.846725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.846725 (E_RNA) where: Base-Base interactions energy: -21.230 where: short stacking energy: -19.301 Base-Backbone interact. energy: -0.017 local terms energy: -23.599192 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -6.205 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -1.041 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -61.209361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.209361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.209361 (E_RNA) where: Base-Base interactions energy: -31.339 where: short stacking energy: -10.641 Base-Backbone interact. energy: -0.656 local terms energy: -29.214464 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -67.273196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.273196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.273196 (E_RNA) where: Base-Base interactions energy: -29.304 where: short stacking energy: -29.304 Base-Backbone interact. energy: -0.000 local terms energy: -37.968758 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -9.146 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -62.528141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.528141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.528141 (E_RNA) where: Base-Base interactions energy: -26.783 where: short stacking energy: -26.558 Base-Backbone interact. energy: -0.000 local terms energy: -35.745205 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -2.362 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: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -49.538731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.538731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.538731 (E_RNA) where: Base-Base interactions energy: -18.748 where: short stacking energy: -16.170 Base-Backbone interact. energy: -0.006 local terms energy: -30.784654 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -5.890 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: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -48.008917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.008917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.008917 (E_RNA) where: Base-Base interactions energy: -17.900 where: short stacking energy: -17.629 Base-Backbone interact. energy: -0.035 local terms energy: -30.073421 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -3.663 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -6.944 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: 6, replica: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -40.334285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.334285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.334285 (E_RNA) where: Base-Base interactions energy: -15.557 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.099 local terms energy: -24.677760 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: 0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -48.867062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.867062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.867062 (E_RNA) where: Base-Base interactions energy: -23.340 where: short stacking energy: -23.340 Base-Backbone interact. energy: 0.273 local terms energy: -25.799781 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -6.517 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -49.384321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.384321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.384321 (E_RNA) where: Base-Base interactions energy: -19.098 where: short stacking energy: -16.095 Base-Backbone interact. energy: -1.345 local terms energy: -28.941316 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -41.027700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.027700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.027700 (E_RNA) where: Base-Base interactions energy: -15.723 where: short stacking energy: -13.626 Base-Backbone interact. energy: -0.181 local terms energy: -25.123191 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -47.799735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.799735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.799735 (E_RNA) where: Base-Base interactions energy: -14.182 where: short stacking energy: -14.182 Base-Backbone interact. energy: -0.006 local terms energy: -33.611436 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.402 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -3.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -79.915410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.915410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.915410 (E_RNA) where: Base-Base interactions energy: -44.390 where: short stacking energy: -23.627 Base-Backbone interact. energy: -0.603 local terms energy: -34.922131 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -9.330 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -68.284097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.284097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.284097 (E_RNA) where: Base-Base interactions energy: -31.652 where: short stacking energy: -31.652 Base-Backbone interact. energy: -0.000 local terms energy: -36.631757 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -2.595 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: 3, replica: 6 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -61.917191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.917191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.917191 (E_RNA) where: Base-Base interactions energy: -26.983 where: short stacking energy: -26.983 Base-Backbone interact. energy: -0.000 local terms energy: -34.934316 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -7.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -58.134700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.134700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.134700 (E_RNA) where: Base-Base interactions energy: -21.917 where: short stacking energy: -21.917 Base-Backbone interact. energy: -0.003 local terms energy: -36.214413 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -6.965 tors. eta vs tors. theta energy: -5.774 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: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -50.817404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.817404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.817404 (E_RNA) where: Base-Base interactions energy: -19.518 where: short stacking energy: -19.518 Base-Backbone interact. energy: -0.001 local terms energy: -31.297584 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -1.783 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -44.202046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.202046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.202046 (E_RNA) where: Base-Base interactions energy: -18.192 where: short stacking energy: -13.650 Base-Backbone interact. energy: -0.345 local terms energy: -25.664943 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -0.042 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -54.214599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.214599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.214599 (E_RNA) where: Base-Base interactions energy: -22.198 where: short stacking energy: -16.600 Base-Backbone interact. energy: -0.057 local terms energy: -31.959839 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -45.676788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.676788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.676788 (E_RNA) where: Base-Base interactions energy: -17.854 where: short stacking energy: -17.854 Base-Backbone interact. energy: -0.003 local terms energy: -27.819445 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -2.748 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -46.387367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.387367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.387367 (E_RNA) where: Base-Base interactions energy: -16.252 where: short stacking energy: -13.320 Base-Backbone interact. energy: -0.825 local terms energy: -29.309939 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -3.905 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: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -42.359725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.359725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.359725 (E_RNA) where: Base-Base interactions energy: -18.140 where: short stacking energy: -17.284 Base-Backbone interact. energy: -0.043 local terms energy: -24.177164 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -2.619 flat angles P-C4'-P energy: -4.622 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: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -77.071328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.071328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.071328 (E_RNA) where: Base-Base interactions energy: -42.479 where: short stacking energy: -24.335 Base-Backbone interact. energy: -0.701 local terms energy: -33.891170 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -5.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -65.535017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.535017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.535017 (E_RNA) where: Base-Base interactions energy: -31.302 where: short stacking energy: -31.302 Base-Backbone interact. energy: -0.000 local terms energy: -34.233060 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -0.635 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: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -60.560682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.560682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.560682 (E_RNA) where: Base-Base interactions energy: -27.102 where: short stacking energy: -25.137 Base-Backbone interact. energy: -0.005 local terms energy: -33.453514 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -6.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -60.261459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.261459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.261459 (E_RNA) where: Base-Base interactions energy: -26.410 where: short stacking energy: -22.017 Base-Backbone interact. energy: -0.000 local terms energy: -33.851716 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -5.958 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: 5, replica: 9 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -45.805332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.805332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.805332 (E_RNA) where: Base-Base interactions energy: -18.430 where: short stacking energy: -18.430 Base-Backbone interact. energy: -0.100 local terms energy: -27.276136 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -51.384576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.384576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.384576 (E_RNA) where: Base-Base interactions energy: -19.883 where: short stacking energy: -18.209 Base-Backbone interact. energy: -0.056 local terms energy: -31.445109 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -5.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -51.515334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.515334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.515334 (E_RNA) where: Base-Base interactions energy: -20.157 where: short stacking energy: -19.044 Base-Backbone interact. energy: -0.004 local terms energy: -31.354300 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -4.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -39.937094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.937094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.937094 (E_RNA) where: Base-Base interactions energy: -16.255 where: short stacking energy: -16.255 Base-Backbone interact. energy: -0.013 local terms energy: -23.668980 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -1.296 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: 9, replica: 1 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -49.648749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.648749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.648749 (E_RNA) where: Base-Base interactions energy: -18.765 where: short stacking energy: -13.052 Base-Backbone interact. energy: -0.000 local terms energy: -30.883594 where: bonds (distance) C4'-P energy: -8.652 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -44.337953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.337953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.337953 (E_RNA) where: Base-Base interactions energy: -19.019 where: short stacking energy: -15.808 Base-Backbone interact. energy: -0.104 local terms energy: -25.214523 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -74.180160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.180160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.180160 (E_RNA) where: Base-Base interactions energy: -39.364 where: short stacking energy: -20.434 Base-Backbone interact. energy: -0.013 local terms energy: -34.802762 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -66.002784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.002784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.002784 (E_RNA) where: Base-Base interactions energy: -30.704 where: short stacking energy: -30.704 Base-Backbone interact. energy: -0.000 local terms energy: -35.298407 where: bonds (distance) C4'-P energy: -6.245 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -10.179 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: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -54.254823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.254823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.254823 (E_RNA) where: Base-Base interactions energy: -19.132 where: short stacking energy: -19.132 Base-Backbone interact. energy: -0.078 local terms energy: -35.045324 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -6.770 tors. eta vs tors. theta energy: -5.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -51.556551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.556551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.556551 (E_RNA) where: Base-Base interactions energy: -22.404 where: short stacking energy: -10.778 Base-Backbone interact. energy: -0.075 local terms energy: -29.077300 where: bonds (distance) C4'-P energy: -6.353 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -1.605 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: 368 Temperature: 1.100000 Total energy: -51.558616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.558616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.558616 (E_RNA) where: Base-Base interactions energy: -18.612 where: short stacking energy: -18.612 Base-Backbone interact. energy: -0.001 local terms energy: -32.945988 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -50.888873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.888873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.888873 (E_RNA) where: Base-Base interactions energy: -18.754 where: short stacking energy: -18.754 Base-Backbone interact. energy: -0.009 local terms energy: -32.126343 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -54.107624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.107624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.107624 (E_RNA) where: Base-Base interactions energy: -20.323 where: short stacking energy: -20.323 Base-Backbone interact. energy: -0.000 local terms energy: -33.784337 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -6.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -52.861362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.861362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.861362 (E_RNA) where: Base-Base interactions energy: -21.325 where: short stacking energy: -21.325 Base-Backbone interact. energy: -0.001 local terms energy: -31.535077 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -37.642286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.642286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.642286 (E_RNA) where: Base-Base interactions energy: -8.876 where: short stacking energy: -8.876 Base-Backbone interact. energy: -0.033 local terms energy: -28.733937 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -4.093 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: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -48.193298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.193298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.193298 (E_RNA) where: Base-Base interactions energy: -20.144 where: short stacking energy: -20.144 Base-Backbone interact. energy: -0.078 local terms energy: -27.971559 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.736 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -62.311578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.311578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.311578 (E_RNA) where: Base-Base interactions energy: -29.890 where: short stacking energy: -29.890 Base-Backbone interact. energy: 0.059 local terms energy: -32.480687 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -70.072119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.072119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.072119 (E_RNA) where: Base-Base interactions energy: -34.610 where: short stacking energy: -34.610 Base-Backbone interact. energy: -0.000 local terms energy: -35.462331 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -10.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -64.053977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.053977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.053977 (E_RNA) where: Base-Base interactions energy: -25.026 where: short stacking energy: -25.026 Base-Backbone interact. energy: -0.000 local terms energy: -39.027955 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -6.798 tors. eta vs tors. theta energy: -10.266 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: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -62.225726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.225726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.225726 (E_RNA) where: Base-Base interactions energy: -26.632 where: short stacking energy: -25.696 Base-Backbone interact. energy: -0.005 local terms energy: -35.588811 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -7.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -54.977108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.977108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.977108 (E_RNA) where: Base-Base interactions energy: -24.366 where: short stacking energy: -20.508 Base-Backbone interact. energy: -0.084 local terms energy: -30.526643 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -6.230 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -48.961014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.961014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.961014 (E_RNA) where: Base-Base interactions energy: -17.542 where: short stacking energy: -17.542 Base-Backbone interact. energy: -0.000 local terms energy: -31.419067 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -5.927 tors. eta vs tors. theta energy: -4.969 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: 9 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -49.032798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.032798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.032798 (E_RNA) where: Base-Base interactions energy: -16.334 where: short stacking energy: -16.334 Base-Backbone interact. energy: -0.002 local terms energy: -32.696622 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -52.636751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.636751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.636751 (E_RNA) where: Base-Base interactions energy: -19.501 where: short stacking energy: -19.501 Base-Backbone interact. energy: -0.002 local terms energy: -33.133399 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -49.383841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.383841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.383841 (E_RNA) where: Base-Base interactions energy: -20.767 where: short stacking energy: -20.767 Base-Backbone interact. energy: -0.000 local terms energy: -28.616466 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -1.452 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: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -37.414008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.414008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.414008 (E_RNA) where: Base-Base interactions energy: -12.127 where: short stacking energy: -12.127 Base-Backbone interact. energy: -0.061 local terms energy: -25.225472 where: bonds (distance) C4'-P energy: -3.460 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -62.233257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.233257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.233257 (E_RNA) where: Base-Base interactions energy: -29.679 where: short stacking energy: -29.679 Base-Backbone interact. energy: -0.000 local terms energy: -32.553482 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -1.937 tors. eta vs tors. theta energy: -7.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -71.937425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.937425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.937425 (E_RNA) where: Base-Base interactions energy: -30.817 where: short stacking energy: -30.817 Base-Backbone interact. energy: -0.000 local terms energy: -41.120596 where: bonds (distance) C4'-P energy: -8.698 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -6.051 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: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -63.743803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.743803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.743803 (E_RNA) where: Base-Base interactions energy: -27.732 where: short stacking energy: -26.449 Base-Backbone interact. energy: -0.701 local terms energy: -35.310975 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -5.349 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: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -54.567400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.567400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.567400 (E_RNA) where: Base-Base interactions energy: -22.852 where: short stacking energy: -22.852 Base-Backbone interact. energy: -0.036 local terms energy: -31.679494 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -56.946816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.946816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.946816 (E_RNA) where: Base-Base interactions energy: -23.152 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.003 local terms energy: -33.791723 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -5.206 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: 6, replica: 10 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -50.607131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.607131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.607131 (E_RNA) where: Base-Base interactions energy: -18.489 where: short stacking energy: -18.489 Base-Backbone interact. energy: -0.017 local terms energy: -32.100708 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.663 flat angles P-C4'-P energy: -6.362 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: 7, replica: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -45.282424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.282424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.282424 (E_RNA) where: Base-Base interactions energy: -21.383 where: short stacking energy: -21.383 Base-Backbone interact. energy: -0.862 local terms energy: -23.037470 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.655 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -47.206111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.206111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.206111 (E_RNA) where: Base-Base interactions energy: -17.100 where: short stacking energy: -17.100 Base-Backbone interact. energy: -0.031 local terms energy: -30.074783 where: bonds (distance) C4'-P energy: -6.996 bonds (distance) P-C4' energy: -6.325 flat angles C4'-P-C4' energy: -8.192 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -47.231009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.231009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.231009 (E_RNA) where: Base-Base interactions energy: -22.365 where: short stacking energy: -17.086 Base-Backbone interact. energy: -0.043 local terms energy: -24.823416 where: bonds (distance) C4'-P energy: -3.390 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -5.233 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: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -42.313148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.313148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.313148 (E_RNA) where: Base-Base interactions energy: -17.523 where: short stacking energy: -10.592 Base-Backbone interact. energy: -0.101 local terms energy: -24.689672 where: bonds (distance) C4'-P energy: -6.350 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -0.866 tors. eta vs tors. theta energy: -4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -61.455724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.455724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.455724 (E_RNA) where: Base-Base interactions energy: -23.626 where: short stacking energy: -23.626 Base-Backbone interact. energy: -0.007 local terms energy: -37.822963 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.056 flat angles P-C4'-P energy: -5.279 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: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -66.084309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.084309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.084309 (E_RNA) where: Base-Base interactions energy: -31.941 where: short stacking energy: -31.941 Base-Backbone interact. energy: -0.010 local terms energy: -34.132952 where: bonds (distance) C4'-P energy: -5.030 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.418 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -8.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -55.283198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.283198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.283198 (E_RNA) where: Base-Base interactions energy: -24.832 where: short stacking energy: -24.832 Base-Backbone interact. energy: -0.009 local terms energy: -30.442030 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.564 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -52.772421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.772421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.772421 (E_RNA) where: Base-Base interactions energy: -18.382 where: short stacking energy: -14.953 Base-Backbone interact. energy: -0.091 local terms energy: -34.299290 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.861 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -4.389 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: 6 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -51.548677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.548677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.548677 (E_RNA) where: Base-Base interactions energy: -19.943 where: short stacking energy: -14.088 Base-Backbone interact. energy: -0.079 local terms energy: -31.526621 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -54.992170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.992170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.992170 (E_RNA) where: Base-Base interactions energy: -21.099 where: short stacking energy: -18.784 Base-Backbone interact. energy: -0.020 local terms energy: -33.873768 where: bonds (distance) C4'-P energy: -5.187 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.236 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -47.899674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.899674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.899674 (E_RNA) where: Base-Base interactions energy: -17.327 where: short stacking energy: -17.327 Base-Backbone interact. energy: -0.001 local terms energy: -30.571842 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -9.025 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -43.614513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.614513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.614513 (E_RNA) where: Base-Base interactions energy: -16.959 where: short stacking energy: -10.557 Base-Backbone interact. energy: -0.001 local terms energy: -26.655313 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -42.684389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.684389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.684389 (E_RNA) where: Base-Base interactions energy: -13.622 where: short stacking energy: -13.622 Base-Backbone interact. energy: -0.011 local terms energy: -29.051724 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -5.353 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: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -45.192855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.192855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.192855 (E_RNA) where: Base-Base interactions energy: -17.363 where: short stacking energy: -13.584 Base-Backbone interact. energy: -0.115 local terms energy: -27.715043 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -67.614677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.614677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.614677 (E_RNA) where: Base-Base interactions energy: -27.256 where: short stacking energy: -27.256 Base-Backbone interact. energy: -0.000 local terms energy: -40.358733 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -6.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -59.605172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.605172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.605172 (E_RNA) where: Base-Base interactions energy: -24.401 where: short stacking energy: -23.812 Base-Backbone interact. energy: -0.000 local terms energy: -35.204013 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -5.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -62.103964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.103964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.103964 (E_RNA) where: Base-Base interactions energy: -32.109 where: short stacking energy: -21.202 Base-Backbone interact. energy: -0.000 local terms energy: -29.994926 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -54.500768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.500768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.500768 (E_RNA) where: Base-Base interactions energy: -24.781 where: short stacking energy: -24.781 Base-Backbone interact. energy: -0.150 local terms energy: -29.570110 where: bonds (distance) C4'-P energy: -5.875 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -46.355459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.355459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.355459 (E_RNA) where: Base-Base interactions energy: -19.000 where: short stacking energy: -14.958 Base-Backbone interact. energy: -0.307 local terms energy: -27.048605 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -47.669986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.669986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.669986 (E_RNA) where: Base-Base interactions energy: -19.037 where: short stacking energy: -18.860 Base-Backbone interact. energy: -0.008 local terms energy: -28.624660 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -6.527 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -51.543296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.543296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.543296 (E_RNA) where: Base-Base interactions energy: -19.047 where: short stacking energy: -18.257 Base-Backbone interact. energy: -0.001 local terms energy: -32.495621 where: bonds (distance) C4'-P energy: -6.053 bonds (distance) P-C4' energy: -7.641 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: -7.078 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: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -49.284664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.284664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.284664 (E_RNA) where: Base-Base interactions energy: -21.365 where: short stacking energy: -17.393 Base-Backbone interact. energy: -0.241 local terms energy: -27.678851 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -5.936 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -3.758 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: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -49.533177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.533177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.533177 (E_RNA) where: Base-Base interactions energy: -19.762 where: short stacking energy: -19.762 Base-Backbone interact. energy: -0.000 local terms energy: -29.771532 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.466 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: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -40.300283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.300283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.300283 (E_RNA) where: Base-Base interactions energy: -14.252 where: short stacking energy: -14.252 Base-Backbone interact. energy: 0.988 local terms energy: -27.036441 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -5.244 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -5.707 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: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -72.516640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.516640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.516640 (E_RNA) where: Base-Base interactions energy: -34.763 where: short stacking energy: -34.067 Base-Backbone interact. energy: -0.022 local terms energy: -37.731894 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -7.587 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: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -53.417060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.417060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.417060 (E_RNA) where: Base-Base interactions energy: -18.845 where: short stacking energy: -18.845 Base-Backbone interact. energy: -0.098 local terms energy: -34.473866 where: bonds (distance) C4'-P energy: -8.321 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -52.153204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.153204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.153204 (E_RNA) where: Base-Base interactions energy: -24.627 where: short stacking energy: -14.126 Base-Backbone interact. energy: -0.079 local terms energy: -27.447256 where: bonds (distance) C4'-P energy: -5.486 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -5.318 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: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -55.030917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.030917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.030917 (E_RNA) where: Base-Base interactions energy: -23.422 where: short stacking energy: -23.422 Base-Backbone interact. energy: -0.070 local terms energy: -31.538831 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -55.091873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.091873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.091873 (E_RNA) where: Base-Base interactions energy: -20.717 where: short stacking energy: -20.717 Base-Backbone interact. energy: -0.000 local terms energy: -34.374453 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -4.739 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: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -49.201366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.201366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.201366 (E_RNA) where: Base-Base interactions energy: -19.639 where: short stacking energy: -17.499 Base-Backbone interact. energy: -0.098 local terms energy: -29.463738 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -5.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -45.327802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.327802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.327802 (E_RNA) where: Base-Base interactions energy: -14.094 where: short stacking energy: -14.094 Base-Backbone interact. energy: -0.010 local terms energy: -31.223410 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -47.499325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.499325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.499325 (E_RNA) where: Base-Base interactions energy: -17.026 where: short stacking energy: -17.026 Base-Backbone interact. energy: -0.084 local terms energy: -30.389061 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.645 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -51.511904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.511904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.511904 (E_RNA) where: Base-Base interactions energy: -16.179 where: short stacking energy: -16.179 Base-Backbone interact. energy: -0.000 local terms energy: -35.332867 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -6.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -43.499421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.499421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.499421 (E_RNA) where: Base-Base interactions energy: -17.131 where: short stacking energy: -17.131 Base-Backbone interact. energy: -0.002 local terms energy: -26.366084 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -61.922967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.922967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.922967 (E_RNA) where: Base-Base interactions energy: -30.579 where: short stacking energy: -19.078 Base-Backbone interact. energy: -0.042 local terms energy: -31.301756 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -5.154 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: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -58.928095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.928095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.928095 (E_RNA) where: Base-Base interactions energy: -24.300 where: short stacking energy: -20.303 Base-Backbone interact. energy: -0.000 local terms energy: -34.628295 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -9.533 flat angles P-C4'-P energy: -5.859 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -55.765663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.765663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.765663 (E_RNA) where: Base-Base interactions energy: -26.122 where: short stacking energy: -26.122 Base-Backbone interact. energy: 0.826 local terms energy: -30.469509 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -57.194177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.194177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.194177 (E_RNA) where: Base-Base interactions energy: -24.420 where: short stacking energy: -24.420 Base-Backbone interact. energy: -0.000 local terms energy: -32.773502 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -61.227120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.227120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.227120 (E_RNA) where: Base-Base interactions energy: -27.687 where: short stacking energy: -27.619 Base-Backbone interact. energy: -0.000 local terms energy: -33.540027 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -6.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -44.235425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.235425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.235425 (E_RNA) where: Base-Base interactions energy: -15.482 where: short stacking energy: -12.341 Base-Backbone interact. energy: -0.028 local terms energy: -28.725331 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -1.175 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -43.851640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.851640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.851640 (E_RNA) where: Base-Base interactions energy: -14.209 where: short stacking energy: -14.209 Base-Backbone interact. energy: -0.007 local terms energy: -29.636421 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -42.005147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.005147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.005147 (E_RNA) where: Base-Base interactions energy: -15.281 where: short stacking energy: -15.281 Base-Backbone interact. energy: -0.025 local terms energy: -26.698877 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -8.295 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: 0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -44.881608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.881608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.881608 (E_RNA) where: Base-Base interactions energy: -14.593 where: short stacking energy: -12.554 Base-Backbone interact. energy: -0.043 local terms energy: -30.245070 where: bonds (distance) C4'-P energy: -7.621 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -39.544742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.544742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.544742 (E_RNA) where: Base-Base interactions energy: -16.937 where: short stacking energy: -14.062 Base-Backbone interact. energy: 0.666 local terms energy: -23.273983 where: bonds (distance) C4'-P energy: -2.173 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -3.529 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: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -72.585642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.585642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.585642 (E_RNA) where: Base-Base interactions energy: -40.183 where: short stacking energy: -21.303 Base-Backbone interact. energy: -0.001 local terms energy: -32.402189 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -67.046863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.046863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.046863 (E_RNA) where: Base-Base interactions energy: -31.776 where: short stacking energy: -27.188 Base-Backbone interact. energy: -0.007 local terms energy: -35.263456 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -6.594 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -8.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -63.573905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.573905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.573905 (E_RNA) where: Base-Base interactions energy: -24.955 where: short stacking energy: -24.160 Base-Backbone interact. energy: 0.245 local terms energy: -38.864329 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -8.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -61.225716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.225716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.225716 (E_RNA) where: Base-Base interactions energy: -21.434 where: short stacking energy: -21.434 Base-Backbone interact. energy: -0.000 local terms energy: -39.791655 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -6.684 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: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -52.263581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.263581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.263581 (E_RNA) where: Base-Base interactions energy: -21.902 where: short stacking energy: -17.741 Base-Backbone interact. energy: -0.064 local terms energy: -30.297763 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -6.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -52.730710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.730710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.730710 (E_RNA) where: Base-Base interactions energy: -22.527 where: short stacking energy: -22.627 Base-Backbone interact. energy: -0.077 local terms energy: -30.126710 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -45.716865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.716865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.716865 (E_RNA) where: Base-Base interactions energy: -16.240 where: short stacking energy: -13.124 Base-Backbone interact. energy: -0.280 local terms energy: -29.197179 where: bonds (distance) C4'-P energy: -4.791 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -43.142569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.142569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.142569 (E_RNA) where: Base-Base interactions energy: -16.759 where: short stacking energy: -16.246 Base-Backbone interact. energy: -0.003 local terms energy: -26.380442 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -1.805 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -58.039938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.039938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.039938 (E_RNA) where: Base-Base interactions energy: -22.920 where: short stacking energy: -16.202 Base-Backbone interact. energy: -0.171 local terms energy: -34.948656 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -37.397323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.397323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.397323 (E_RNA) where: Base-Base interactions energy: -13.612 where: short stacking energy: -13.612 Base-Backbone interact. energy: -0.201 local terms energy: -23.583705 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -2.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -67.521144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.521144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.521144 (E_RNA) where: Base-Base interactions energy: -28.729 where: short stacking energy: -28.375 Base-Backbone interact. energy: -0.000 local terms energy: -38.791598 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.777 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -56.377457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.377457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.377457 (E_RNA) where: Base-Base interactions energy: -22.908 where: short stacking energy: -22.908 Base-Backbone interact. energy: -0.017 local terms energy: -33.451875 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -7.331 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: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -58.645597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.645597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.645597 (E_RNA) where: Base-Base interactions energy: -25.883 where: short stacking energy: -25.883 Base-Backbone interact. energy: -0.000 local terms energy: -32.762953 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -3.741 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -6.421 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: 4, replica: 4 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -57.827402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.827402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.827402 (E_RNA) where: Base-Base interactions energy: -21.725 where: short stacking energy: -21.725 Base-Backbone interact. energy: -0.000 local terms energy: -36.102429 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -8.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -50.678938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.678938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.678938 (E_RNA) where: Base-Base interactions energy: -21.077 where: short stacking energy: -20.425 Base-Backbone interact. energy: -0.047 local terms energy: -29.554061 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -49.229342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.229342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.229342 (E_RNA) where: Base-Base interactions energy: -21.968 where: short stacking energy: -21.968 Base-Backbone interact. energy: -0.063 local terms energy: -27.198916 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -45.483488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.483488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.483488 (E_RNA) where: Base-Base interactions energy: -13.872 where: short stacking energy: -12.667 Base-Backbone interact. energy: -0.024 local terms energy: -31.587908 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -48.269046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.269046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.269046 (E_RNA) where: Base-Base interactions energy: -19.363 where: short stacking energy: -19.363 Base-Backbone interact. energy: -0.005 local terms energy: -28.900983 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -1.696 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -46.397882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.397882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.397882 (E_RNA) where: Base-Base interactions energy: -18.786 where: short stacking energy: -18.375 Base-Backbone interact. energy: -0.001 local terms energy: -27.610094 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -5.020 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -42.988278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.988278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.988278 (E_RNA) where: Base-Base interactions energy: -12.257 where: short stacking energy: -12.257 Base-Backbone interact. energy: -0.071 local terms energy: -30.659548 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -65.507622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.507622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.507622 (E_RNA) where: Base-Base interactions energy: -30.338 where: short stacking energy: -30.338 Base-Backbone interact. energy: -0.003 local terms energy: -35.166646 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -6.090 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: 2, replica: 2 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -61.622008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.622008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.622008 (E_RNA) where: Base-Base interactions energy: -25.061 where: short stacking energy: -25.061 Base-Backbone interact. energy: -0.000 local terms energy: -36.560427 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -8.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -54.067651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.067651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.067651 (E_RNA) where: Base-Base interactions energy: -22.461 where: short stacking energy: -22.461 Base-Backbone interact. energy: -0.005 local terms energy: -31.601611 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -4.629 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: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -57.979758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.979758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.979758 (E_RNA) where: Base-Base interactions energy: -18.978 where: short stacking energy: -18.978 Base-Backbone interact. energy: -0.000 local terms energy: -39.002104 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -6.276 tors. eta vs tors. theta energy: -7.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -55.549242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.549242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.549242 (E_RNA) where: Base-Base interactions energy: -24.413 where: short stacking energy: -16.487 Base-Backbone interact. energy: -0.044 local terms energy: -31.092805 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -5.297 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: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -51.373831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.373831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.373831 (E_RNA) where: Base-Base interactions energy: -23.002 where: short stacking energy: -13.436 Base-Backbone interact. energy: -0.067 local terms energy: -28.305421 where: bonds (distance) C4'-P energy: -4.574 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -4.568 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: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -46.557669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.557669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.557669 (E_RNA) where: Base-Base interactions energy: -16.324 where: short stacking energy: -16.060 Base-Backbone interact. energy: -0.211 local terms energy: -30.022986 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -9.625 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -1.471 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: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -44.813633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.813633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.813633 (E_RNA) where: Base-Base interactions energy: -17.442 where: short stacking energy: -17.442 Base-Backbone interact. energy: -0.003 local terms energy: -27.368576 where: bonds (distance) C4'-P energy: -3.207 bonds (distance) P-C4' energy: -6.841 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -5.816 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: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -58.028386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.028386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.028386 (E_RNA) where: Base-Base interactions energy: -24.053 where: short stacking energy: -12.154 Base-Backbone interact. energy: -0.534 local terms energy: -33.441342 where: bonds (distance) C4'-P energy: -6.011 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.468 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -3.447 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: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -39.053976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.053976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.053976 (E_RNA) where: Base-Base interactions energy: -15.095 where: short stacking energy: -15.095 Base-Backbone interact. energy: -0.432 local terms energy: -23.527264 where: bonds (distance) C4'-P energy: -5.331 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.199 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: 1, replica: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -62.376999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.376999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.376999 (E_RNA) where: Base-Base interactions energy: -24.827 where: short stacking energy: -24.827 Base-Backbone interact. energy: -0.019 local terms energy: -37.530988 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -8.403 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -7.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -74.144438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.144438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.144438 (E_RNA) where: Base-Base interactions energy: -38.908 where: short stacking energy: -16.489 Base-Backbone interact. energy: -0.088 local terms energy: -35.148675 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -55.207141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.207141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.207141 (E_RNA) where: Base-Base interactions energy: -21.298 where: short stacking energy: -21.298 Base-Backbone interact. energy: -0.002 local terms energy: -33.907386 where: bonds (distance) C4'-P energy: -4.065 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -7.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -57.915418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.915418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.915418 (E_RNA) where: Base-Base interactions energy: -22.328 where: short stacking energy: -22.328 Base-Backbone interact. energy: -0.000 local terms energy: -35.586976 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -8.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -59.770657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.770657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.770657 (E_RNA) where: Base-Base interactions energy: -30.798 where: short stacking energy: -16.744 Base-Backbone interact. energy: -1.179 local terms energy: -27.792795 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -55.717341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.717341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.717341 (E_RNA) where: Base-Base interactions energy: -20.732 where: short stacking energy: -20.732 Base-Backbone interact. energy: -0.000 local terms energy: -34.985473 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -9.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -46.232500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.232500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.232500 (E_RNA) where: Base-Base interactions energy: -17.632 where: short stacking energy: -17.632 Base-Backbone interact. energy: -0.095 local terms energy: -28.505939 where: bonds (distance) C4'-P energy: -5.692 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -5.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -50.393081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.393081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.393081 (E_RNA) where: Base-Base interactions energy: -20.271 where: short stacking energy: -20.271 Base-Backbone interact. energy: -0.004 local terms energy: -30.117750 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -45.572898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.572898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.572898 (E_RNA) where: Base-Base interactions energy: -19.228 where: short stacking energy: -17.491 Base-Backbone interact. energy: -0.081 local terms energy: -26.263809 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -43.802818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.802818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.802818 (E_RNA) where: Base-Base interactions energy: -15.444 where: short stacking energy: -15.444 Base-Backbone interact. energy: -0.035 local terms energy: -28.323614 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -6.604 tors. eta vs tors. theta energy: -2.333 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: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -68.091501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.091501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.091501 (E_RNA) where: Base-Base interactions energy: -31.028 where: short stacking energy: -31.028 Base-Backbone interact. energy: -0.000 local terms energy: -37.063369 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -9.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -66.234314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.234314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.234314 (E_RNA) where: Base-Base interactions energy: -27.731 where: short stacking energy: -27.731 Base-Backbone interact. energy: -0.069 local terms energy: -38.434235 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -5.532 tors. eta vs tors. theta energy: -7.514 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: 379 Temperature: 1.000000 Total energy: -67.760344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.760344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.760344 (E_RNA) where: Base-Base interactions energy: -29.415 where: short stacking energy: -29.415 Base-Backbone interact. energy: -0.000 local terms energy: -38.344838 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -9.655 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -6.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -59.425163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.425163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.425163 (E_RNA) where: Base-Base interactions energy: -27.330 where: short stacking energy: -24.995 Base-Backbone interact. energy: -0.001 local terms energy: -32.094270 where: bonds (distance) C4'-P energy: -1.979 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -5.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -62.748999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.748999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.748999 (E_RNA) where: Base-Base interactions energy: -23.745 where: short stacking energy: -23.745 Base-Backbone interact. energy: -0.000 local terms energy: -39.003952 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -5.597 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: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -51.379793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.379793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.379793 (E_RNA) where: Base-Base interactions energy: -22.364 where: short stacking energy: -21.003 Base-Backbone interact. energy: -0.000 local terms energy: -29.015239 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -5.772 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -6.274 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: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -48.443725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.443725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.443725 (E_RNA) where: Base-Base interactions energy: -20.444 where: short stacking energy: -18.281 Base-Backbone interact. energy: -0.004 local terms energy: -27.995271 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -40.568686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.568686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.568686 (E_RNA) where: Base-Base interactions energy: -13.977 where: short stacking energy: -13.977 Base-Backbone interact. energy: -0.060 local terms energy: -26.531635 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -3.704 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: 9, replica: 5 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -44.893001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.893001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.893001 (E_RNA) where: Base-Base interactions energy: -14.073 where: short stacking energy: -14.073 Base-Backbone interact. energy: -0.146 local terms energy: -30.674148 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -40.337651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.337651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.337651 (E_RNA) where: Base-Base interactions energy: -19.912 where: short stacking energy: -19.912 Base-Backbone interact. energy: -0.037 local terms energy: -20.388247 where: bonds (distance) C4'-P energy: 0.441 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -2.288 tors. eta vs tors. theta energy: -5.167 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: 1, replica: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -67.221924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.221924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.221924 (E_RNA) where: Base-Base interactions energy: -35.619 where: short stacking energy: -23.354 Base-Backbone interact. energy: -0.341 local terms energy: -31.261504 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -66.833184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.833184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.833184 (E_RNA) where: Base-Base interactions energy: -31.394 where: short stacking energy: -31.394 Base-Backbone interact. energy: -0.000 local terms energy: -35.439654 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -8.331 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: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -63.230409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.230409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.230409 (E_RNA) where: Base-Base interactions energy: -28.090 where: short stacking energy: -28.090 Base-Backbone interact. energy: -0.000 local terms energy: -35.140513 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -8.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -54.872257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.872257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.872257 (E_RNA) where: Base-Base interactions energy: -22.218 where: short stacking energy: -22.218 Base-Backbone interact. energy: -0.023 local terms energy: -32.631671 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -7.723 flat angles P-C4'-P energy: -3.922 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: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -63.196759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.196759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.196759 (E_RNA) where: Base-Base interactions energy: -31.980 where: short stacking energy: -25.650 Base-Backbone interact. energy: -0.011 local terms energy: -31.205502 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -6.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -53.124304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.124304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.124304 (E_RNA) where: Base-Base interactions energy: -18.937 where: short stacking energy: -18.937 Base-Backbone interact. energy: -0.008 local terms energy: -34.179526 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -5.993 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: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -46.507123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.507123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.507123 (E_RNA) where: Base-Base interactions energy: -14.128 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -32.379519 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -45.312786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.312786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.312786 (E_RNA) where: Base-Base interactions energy: -15.268 where: short stacking energy: -10.828 Base-Backbone interact. energy: -0.087 local terms energy: -29.957023 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -52.275833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.275833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.275833 (E_RNA) where: Base-Base interactions energy: -25.424 where: short stacking energy: -16.230 Base-Backbone interact. energy: 0.529 local terms energy: -27.380208 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -41.269312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.269312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.269312 (E_RNA) where: Base-Base interactions energy: -23.468 where: short stacking energy: -14.813 Base-Backbone interact. energy: 0.267 local terms energy: -18.068334 where: bonds (distance) C4'-P energy: -2.739 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -1.429 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -71.033162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.033162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.033162 (E_RNA) where: Base-Base interactions energy: -36.923 where: short stacking energy: -32.706 Base-Backbone interact. energy: -0.006 local terms energy: -34.104646 where: bonds (distance) C4'-P energy: -6.211 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -59.711572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711572 (E_RNA) where: Base-Base interactions energy: -25.126 where: short stacking energy: -25.126 Base-Backbone interact. energy: -0.007 local terms energy: -34.578470 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -5.755 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: 3, replica: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -61.668319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.668319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.668319 (E_RNA) where: Base-Base interactions energy: -25.189 where: short stacking energy: -25.189 Base-Backbone interact. energy: -0.002 local terms energy: -36.476701 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -5.461 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: 4, replica: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -52.562248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.562248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.562248 (E_RNA) where: Base-Base interactions energy: -23.045 where: short stacking energy: -23.045 Base-Backbone interact. energy: -0.061 local terms energy: -29.456833 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -51.979011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.979011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.979011 (E_RNA) where: Base-Base interactions energy: -27.444 where: short stacking energy: -16.988 Base-Backbone interact. energy: -0.538 local terms energy: -23.996874 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -0.831 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: 6, replica: 6 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -41.018770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.018770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.018770 (E_RNA) where: Base-Base interactions energy: -18.096 where: short stacking energy: -18.096 Base-Backbone interact. energy: 0.789 local terms energy: -23.712267 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: 1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -37.826463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.826463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.826463 (E_RNA) where: Base-Base interactions energy: -14.686 where: short stacking energy: -6.794 Base-Backbone interact. energy: -0.198 local terms energy: -22.942594 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: 1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -43.945952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.945952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.945952 (E_RNA) where: Base-Base interactions energy: -16.099 where: short stacking energy: -16.099 Base-Backbone interact. energy: -0.118 local terms energy: -27.728833 where: bonds (distance) C4'-P energy: -5.825 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -43.046449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.046449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.046449 (E_RNA) where: Base-Base interactions energy: -15.973 where: short stacking energy: -15.973 Base-Backbone interact. energy: -0.010 local terms energy: -27.062860 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -42.281014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.281014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.281014 (E_RNA) where: Base-Base interactions energy: -9.898 where: short stacking energy: -9.898 Base-Backbone interact. energy: -0.018 local terms energy: -32.365833 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -5.066 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: 1, replica: 7 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -68.775272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.775272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.775272 (E_RNA) where: Base-Base interactions energy: -32.441 where: short stacking energy: -32.441 Base-Backbone interact. energy: -0.000 local terms energy: -36.333752 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -5.698 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: 2, replica: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -63.972833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.972833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.972833 (E_RNA) where: Base-Base interactions energy: -28.816 where: short stacking energy: -28.816 Base-Backbone interact. energy: -0.010 local terms energy: -35.147168 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -6.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -64.181509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.181509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.181509 (E_RNA) where: Base-Base interactions energy: -35.086 where: short stacking energy: -22.404 Base-Backbone interact. energy: -0.003 local terms energy: -29.092782 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -4.121 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: 4, replica: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -53.267183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.267183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.267183 (E_RNA) where: Base-Base interactions energy: -19.157 where: short stacking energy: -19.157 Base-Backbone interact. energy: -0.128 local terms energy: -33.983008 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -60.211576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.211576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.211576 (E_RNA) where: Base-Base interactions energy: -25.489 where: short stacking energy: -25.489 Base-Backbone interact. energy: -0.006 local terms energy: -34.715784 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -46.978500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.978500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.978500 (E_RNA) where: Base-Base interactions energy: -20.351 where: short stacking energy: -14.586 Base-Backbone interact. energy: -0.001 local terms energy: -26.626213 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -5.152 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: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -51.567731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.567731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.567731 (E_RNA) where: Base-Base interactions energy: -21.152 where: short stacking energy: -17.485 Base-Backbone interact. energy: 0.404 local terms energy: -30.819793 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -3.973 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: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -45.288195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.288195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.288195 (E_RNA) where: Base-Base interactions energy: -21.585 where: short stacking energy: -20.443 Base-Backbone interact. energy: -0.014 local terms energy: -23.689003 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -49.232016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.232016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.232016 (E_RNA) where: Base-Base interactions energy: -20.321 where: short stacking energy: -20.321 Base-Backbone interact. energy: -0.000 local terms energy: -28.910875 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -0.883 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -43.612876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.612876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.612876 (E_RNA) where: Base-Base interactions energy: -17.398 where: short stacking energy: -14.698 Base-Backbone interact. energy: -0.001 local terms energy: -26.214043 where: bonds (distance) C4'-P energy: -5.084 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -58.017799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.017799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.017799 (E_RNA) where: Base-Base interactions energy: -19.802 where: short stacking energy: -19.802 Base-Backbone interact. energy: -0.006 local terms energy: -38.209367 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -9.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -67.208444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.208444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.208444 (E_RNA) where: Base-Base interactions energy: -39.462 where: short stacking energy: -19.197 Base-Backbone interact. energy: 1.030 local terms energy: -28.776521 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -6.732 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: 3, replica: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -60.644783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.644783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.644783 (E_RNA) where: Base-Base interactions energy: -25.875 where: short stacking energy: -25.875 Base-Backbone interact. energy: -0.000 local terms energy: -34.769395 where: bonds (distance) C4'-P energy: -8.060 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -5.007 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: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -49.741603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.741603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.741603 (E_RNA) where: Base-Base interactions energy: -20.460 where: short stacking energy: -20.460 Base-Backbone interact. energy: -0.706 local terms energy: -28.575219 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.095 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -3.430 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: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -49.971460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.971460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.971460 (E_RNA) where: Base-Base interactions energy: -21.848 where: short stacking energy: -19.950 Base-Backbone interact. energy: 0.724 local terms energy: -28.847719 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -6.327 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -4.323 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: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -50.203249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.203249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.203249 (E_RNA) where: Base-Base interactions energy: -26.513 where: short stacking energy: -16.382 Base-Backbone interact. energy: -0.058 local terms energy: -23.631612 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -50.359270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.359270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.359270 (E_RNA) where: Base-Base interactions energy: -17.710 where: short stacking energy: -17.710 Base-Backbone interact. energy: -0.100 local terms energy: -32.549841 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -49.830910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.830910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.830910 (E_RNA) where: Base-Base interactions energy: -18.575 where: short stacking energy: -18.575 Base-Backbone interact. energy: -0.006 local terms energy: -31.250835 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -40.912654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.912654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.912654 (E_RNA) where: Base-Base interactions energy: -14.933 where: short stacking energy: -14.257 Base-Backbone interact. energy: -0.024 local terms energy: -25.955174 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -0.121 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: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -39.009447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.009447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.009447 (E_RNA) where: Base-Base interactions energy: -16.503 where: short stacking energy: -16.503 Base-Backbone interact. energy: -0.000 local terms energy: -22.505795 where: bonds (distance) C4'-P energy: -7.236 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -1.992 flat angles P-C4'-P energy: -3.870 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: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -73.492504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.492504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.492504 (E_RNA) where: Base-Base interactions energy: -31.305 where: short stacking energy: -31.305 Base-Backbone interact. energy: -0.000 local terms energy: -42.187014 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.405 flat angles P-C4'-P energy: -6.802 tors. eta vs tors. theta energy: -10.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -60.539557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.539557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.539557 (E_RNA) where: Base-Base interactions energy: -25.284 where: short stacking energy: -25.284 Base-Backbone interact. energy: -0.001 local terms energy: -35.254908 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -3.056 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: 3, replica: 6 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -55.025909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.025909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.025909 (E_RNA) where: Base-Base interactions energy: -24.089 where: short stacking energy: -24.089 Base-Backbone interact. energy: -0.002 local terms energy: -30.935015 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -5.215 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: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -54.721353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.721353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.721353 (E_RNA) where: Base-Base interactions energy: -19.370 where: short stacking energy: -19.370 Base-Backbone interact. energy: -0.000 local terms energy: -35.350902 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -7.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -48.075293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.075293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.075293 (E_RNA) where: Base-Base interactions energy: -18.787 where: short stacking energy: -12.908 Base-Backbone interact. energy: -0.095 local terms energy: -29.193214 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -49.453232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.453232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.453232 (E_RNA) where: Base-Base interactions energy: -20.414 where: short stacking energy: -20.414 Base-Backbone interact. energy: -0.019 local terms energy: -29.019753 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -49.913589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.913589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.913589 (E_RNA) where: Base-Base interactions energy: -18.508 where: short stacking energy: -18.508 Base-Backbone interact. energy: -0.070 local terms energy: -31.335079 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -6.206 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: 8, replica: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -46.670605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.670605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.670605 (E_RNA) where: Base-Base interactions energy: -17.309 where: short stacking energy: -17.309 Base-Backbone interact. energy: -0.009 local terms energy: -29.353231 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -4.662 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -2.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -40.744291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.744291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.744291 (E_RNA) where: Base-Base interactions energy: -9.300 where: short stacking energy: -9.300 Base-Backbone interact. energy: -0.157 local terms energy: -31.287939 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.924 flat angles P-C4'-P energy: -5.675 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: 10, replica: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -44.487004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.487004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.487004 (E_RNA) where: Base-Base interactions energy: -19.390 where: short stacking energy: -19.390 Base-Backbone interact. energy: 2.366 local terms energy: -27.463101 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -4.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -69.744002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.744002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.744002 (E_RNA) where: Base-Base interactions energy: -34.386 where: short stacking energy: -33.698 Base-Backbone interact. energy: -0.000 local terms energy: -35.358260 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -8.015 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -8.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -64.001513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.001513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.001513 (E_RNA) where: Base-Base interactions energy: -28.728 where: short stacking energy: -28.728 Base-Backbone interact. energy: -0.000 local terms energy: -35.273718 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -9.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -61.607002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.607002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.607002 (E_RNA) where: Base-Base interactions energy: -31.043 where: short stacking energy: -23.510 Base-Backbone interact. energy: -0.010 local terms energy: -30.554634 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -60.687886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.687886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.687886 (E_RNA) where: Base-Base interactions energy: -25.222 where: short stacking energy: -25.222 Base-Backbone interact. energy: -0.001 local terms energy: -35.465021 where: bonds (distance) C4'-P energy: -5.791 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -5.739 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: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -49.647216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.647216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.647216 (E_RNA) where: Base-Base interactions energy: -17.511 where: short stacking energy: -17.278 Base-Backbone interact. energy: -0.000 local terms energy: -32.135807 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -63.182575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.182575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.182575 (E_RNA) where: Base-Base interactions energy: -27.948 where: short stacking energy: -19.968 Base-Backbone interact. energy: -0.020 local terms energy: -35.213956 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -53.620525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.620525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.620525 (E_RNA) where: Base-Base interactions energy: -23.905 where: short stacking energy: -16.834 Base-Backbone interact. energy: -0.001 local terms energy: -29.715250 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -45.249534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.249534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.249534 (E_RNA) where: Base-Base interactions energy: -11.839 where: short stacking energy: -11.839 Base-Backbone interact. energy: -0.052 local terms energy: -33.358340 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -6.820 tors. eta vs tors. theta energy: -4.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -40.271804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.271804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.271804 (E_RNA) where: Base-Base interactions energy: -14.058 where: short stacking energy: -12.647 Base-Backbone interact. energy: -0.014 local terms energy: -26.199295 where: bonds (distance) C4'-P energy: -7.033 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -41.176812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.176812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.176812 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.043 local terms energy: -28.152798 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -1.541 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: 1, replica: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -73.079886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.079886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.079886 (E_RNA) where: Base-Base interactions energy: -38.318 where: short stacking energy: -30.114 Base-Backbone interact. energy: -0.000 local terms energy: -34.762110 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -6.586 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -10.329 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: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -61.003080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.003080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.003080 (E_RNA) where: Base-Base interactions energy: -25.532 where: short stacking energy: -25.532 Base-Backbone interact. energy: -0.000 local terms energy: -35.471114 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -7.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -58.891646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.891646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.891646 (E_RNA) where: Base-Base interactions energy: -27.600 where: short stacking energy: -27.600 Base-Backbone interact. energy: -0.007 local terms energy: -31.284881 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -54.502557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.502557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.502557 (E_RNA) where: Base-Base interactions energy: -23.215 where: short stacking energy: -23.215 Base-Backbone interact. energy: 0.411 local terms energy: -31.698640 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -6.378 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -57.815209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.815209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.815209 (E_RNA) where: Base-Base interactions energy: -26.197 where: short stacking energy: -21.934 Base-Backbone interact. energy: -0.001 local terms energy: -31.617115 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -5.665 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: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -50.958419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.958419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.958419 (E_RNA) where: Base-Base interactions energy: -22.948 where: short stacking energy: -22.576 Base-Backbone interact. energy: -0.002 local terms energy: -28.008193 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -3.125 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: 7, replica: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -53.693244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.693244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.693244 (E_RNA) where: Base-Base interactions energy: -22.670 where: short stacking energy: -22.670 Base-Backbone interact. energy: -0.000 local terms energy: -31.023435 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -5.010 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: 8, replica: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -46.224821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.224821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.224821 (E_RNA) where: Base-Base interactions energy: -17.148 where: short stacking energy: -16.626 Base-Backbone interact. energy: -0.026 local terms energy: -29.050620 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -47.221879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.221879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.221879 (E_RNA) where: Base-Base interactions energy: -20.079 where: short stacking energy: -19.558 Base-Backbone interact. energy: -0.036 local terms energy: -27.107148 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -52.511129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.511129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.511129 (E_RNA) where: Base-Base interactions energy: -18.224 where: short stacking energy: -15.138 Base-Backbone interact. energy: -0.093 local terms energy: -34.194371 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -6.060 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: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -70.070629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.070629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.070629 (E_RNA) where: Base-Base interactions energy: -30.425 where: short stacking energy: -30.425 Base-Backbone interact. energy: -0.000 local terms energy: -39.645946 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.861 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -9.604 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: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -62.817291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.817291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.817291 (E_RNA) where: Base-Base interactions energy: -29.177 where: short stacking energy: -29.177 Base-Backbone interact. energy: -0.015 local terms energy: -33.625436 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -6.710 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: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -59.577877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.577877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.577877 (E_RNA) where: Base-Base interactions energy: -31.417 where: short stacking energy: -23.295 Base-Backbone interact. energy: -0.108 local terms energy: -28.052130 where: bonds (distance) C4'-P energy: -4.348 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -3.980 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: 4, replica: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -59.004547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.004547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.004547 (E_RNA) where: Base-Base interactions energy: -24.526 where: short stacking energy: -24.526 Base-Backbone interact. energy: -0.000 local terms energy: -34.478847 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.114 flat angles P-C4'-P energy: -4.984 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: 5, replica: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -55.360261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.360261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.360261 (E_RNA) where: Base-Base interactions energy: -23.061 where: short stacking energy: -16.124 Base-Backbone interact. energy: -1.020 local terms energy: -31.278892 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -45.416610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.416610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.416610 (E_RNA) where: Base-Base interactions energy: -17.628 where: short stacking energy: -17.628 Base-Backbone interact. energy: -0.000 local terms energy: -27.788294 where: bonds (distance) C4'-P energy: -3.408 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.321 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: 7, replica: 4 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -45.579091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.579091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.579091 (E_RNA) where: Base-Base interactions energy: -15.273 where: short stacking energy: -15.273 Base-Backbone interact. energy: -0.064 local terms energy: -30.242872 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -50.853807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.853807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.853807 (E_RNA) where: Base-Base interactions energy: -23.166 where: short stacking energy: -21.436 Base-Backbone interact. energy: -0.710 local terms energy: -26.978122 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -4.798 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -4.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -51.100989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.100989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.100989 (E_RNA) where: Base-Base interactions energy: -24.456 where: short stacking energy: -21.337 Base-Backbone interact. energy: -0.092 local terms energy: -26.553774 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -44.941612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.941612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.941612 (E_RNA) where: Base-Base interactions energy: -16.094 where: short stacking energy: -16.094 Base-Backbone interact. energy: -0.319 local terms energy: -28.528408 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -6.465 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: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -65.406165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.406165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.406165 (E_RNA) where: Base-Base interactions energy: -30.480 where: short stacking energy: -30.480 Base-Backbone interact. energy: -0.000 local terms energy: -34.926500 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -57.920123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.920123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.920123 (E_RNA) where: Base-Base interactions energy: -24.039 where: short stacking energy: -17.074 Base-Backbone interact. energy: -0.007 local terms energy: -33.873407 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.681 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -4.057 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: 388 Temperature: 1.000000 Total energy: -54.593501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.593501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.593501 (E_RNA) where: Base-Base interactions energy: -22.906 where: short stacking energy: -21.369 Base-Backbone interact. energy: -0.036 local terms energy: -31.652124 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.433 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -49.536007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.536007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.536007 (E_RNA) where: Base-Base interactions energy: -19.897 where: short stacking energy: -15.673 Base-Backbone interact. energy: -0.038 local terms energy: -29.600795 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -47.587373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.587373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.587373 (E_RNA) where: Base-Base interactions energy: -16.427 where: short stacking energy: -16.427 Base-Backbone interact. energy: -0.046 local terms energy: -31.113591 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -43.196586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.196586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.196586 (E_RNA) where: Base-Base interactions energy: -16.413 where: short stacking energy: -4.320 Base-Backbone interact. energy: -0.032 local terms energy: -26.751631 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -53.617130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.617130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.617130 (E_RNA) where: Base-Base interactions energy: -25.474 where: short stacking energy: -15.175 Base-Backbone interact. energy: -0.466 local terms energy: -27.677210 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -49.252640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.252640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.252640 (E_RNA) where: Base-Base interactions energy: -19.756 where: short stacking energy: -19.756 Base-Backbone interact. energy: -0.004 local terms energy: -29.491862 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -3.336 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: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -43.925929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.925929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.925929 (E_RNA) where: Base-Base interactions energy: -12.746 where: short stacking energy: -12.746 Base-Backbone interact. energy: -0.001 local terms energy: -31.179035 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -3.527 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: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -40.931795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.931795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.931795 (E_RNA) where: Base-Base interactions energy: -15.348 where: short stacking energy: -15.348 Base-Backbone interact. energy: -0.001 local terms energy: -25.581864 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -61.384442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.384442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.384442 (E_RNA) where: Base-Base interactions energy: -28.103 where: short stacking energy: -26.118 Base-Backbone interact. energy: -0.000 local terms energy: -33.281183 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -5.244 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: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -66.395597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.395597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.395597 (E_RNA) where: Base-Base interactions energy: -29.045 where: short stacking energy: -29.045 Base-Backbone interact. energy: -0.000 local terms energy: -37.350914 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -9.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -66.344297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.344297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.344297 (E_RNA) where: Base-Base interactions energy: -27.400 where: short stacking energy: -27.400 Base-Backbone interact. energy: -0.001 local terms energy: -38.943574 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -10.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -61.051992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.051992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.051992 (E_RNA) where: Base-Base interactions energy: -21.033 where: short stacking energy: -21.033 Base-Backbone interact. energy: -0.000 local terms energy: -40.019183 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -9.122 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -8.841 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: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -53.578723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.578723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.578723 (E_RNA) where: Base-Base interactions energy: -22.891 where: short stacking energy: -14.240 Base-Backbone interact. energy: -0.194 local terms energy: -30.492981 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.709 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -6.850 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: 6, replica: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -52.369586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.369586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.369586 (E_RNA) where: Base-Base interactions energy: -18.832 where: short stacking energy: -16.845 Base-Backbone interact. energy: 0.258 local terms energy: -33.795626 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -45.711757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.711757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.711757 (E_RNA) where: Base-Base interactions energy: -14.615 where: short stacking energy: -14.615 Base-Backbone interact. energy: -0.006 local terms energy: -31.090988 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -46.300722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.300722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.300722 (E_RNA) where: Base-Base interactions energy: -14.491 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.087 local terms energy: -31.722345 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -47.510974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.510974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.510974 (E_RNA) where: Base-Base interactions energy: -24.143 where: short stacking energy: -18.261 Base-Backbone interact. energy: -0.000 local terms energy: -23.367558 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: -3.031 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: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -40.637852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.637852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.637852 (E_RNA) where: Base-Base interactions energy: -14.482 where: short stacking energy: -11.626 Base-Backbone interact. energy: -0.099 local terms energy: -26.056240 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -5.401 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: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -62.655538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.655538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.655538 (E_RNA) where: Base-Base interactions energy: -24.503 where: short stacking energy: -24.503 Base-Backbone interact. energy: -0.000 local terms energy: -38.152091 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -7.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -57.192246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.192246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.192246 (E_RNA) where: Base-Base interactions energy: -25.544 where: short stacking energy: -25.544 Base-Backbone interact. energy: 0.219 local terms energy: -31.866409 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -5.067 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: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -62.684511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.684511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.684511 (E_RNA) where: Base-Base interactions energy: -27.764 where: short stacking energy: -27.764 Base-Backbone interact. energy: 0.662 local terms energy: -35.582109 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -5.231 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: 390 Temperature: 1.050000 Total energy: -65.598962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.598962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.598962 (E_RNA) where: Base-Base interactions energy: -30.740 where: short stacking energy: -30.740 Base-Backbone interact. energy: -0.000 local terms energy: -34.859023 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -4.714 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -10.375 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: 5, replica: 3 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -69.597035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.597035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.597035 (E_RNA) where: Base-Base interactions energy: -33.475 where: short stacking energy: -33.475 Base-Backbone interact. energy: -0.000 local terms energy: -36.121915 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -9.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -49.714532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.714532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.714532 (E_RNA) where: Base-Base interactions energy: -21.960 where: short stacking energy: -21.960 Base-Backbone interact. energy: -0.096 local terms energy: -27.659087 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -52.380286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.380286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.380286 (E_RNA) where: Base-Base interactions energy: -19.117 where: short stacking energy: -19.117 Base-Backbone interact. energy: -0.254 local terms energy: -33.009591 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -5.544 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: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -37.240437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.240437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.240437 (E_RNA) where: Base-Base interactions energy: -20.468 where: short stacking energy: -20.468 Base-Backbone interact. energy: -0.149 local terms energy: -16.622742 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -2.523 flat angles C4'-P-C4' energy: -9.154 flat angles P-C4'-P energy: 3.130 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -41.967807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.967807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.967807 (E_RNA) where: Base-Base interactions energy: -13.536 where: short stacking energy: -13.536 Base-Backbone interact. energy: -0.054 local terms energy: -28.377883 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -46.177945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.177945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.177945 (E_RNA) where: Base-Base interactions energy: -15.762 where: short stacking energy: -15.762 Base-Backbone interact. energy: -0.030 local terms energy: -30.385853 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -71.176851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.176851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.176851 (E_RNA) where: Base-Base interactions energy: -32.273 where: short stacking energy: -28.384 Base-Backbone interact. energy: -0.018 local terms energy: -38.886044 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -4.835 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: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -63.105995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.105995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.105995 (E_RNA) where: Base-Base interactions energy: -27.221 where: short stacking energy: -27.221 Base-Backbone interact. energy: -0.000 local terms energy: -35.885377 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -8.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -65.271029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.271029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.271029 (E_RNA) where: Base-Base interactions energy: -31.926 where: short stacking energy: -27.280 Base-Backbone interact. energy: 2.146 local terms energy: -35.491074 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -6.710 tors. eta vs tors. theta energy: -5.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -56.531304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.531304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.531304 (E_RNA) where: Base-Base interactions energy: -21.491 where: short stacking energy: -21.402 Base-Backbone interact. energy: -0.099 local terms energy: -34.940542 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -55.330730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.330730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.330730 (E_RNA) where: Base-Base interactions energy: -25.810 where: short stacking energy: -17.961 Base-Backbone interact. energy: -0.239 local terms energy: -29.281521 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.563 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: 6, replica: 9 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -40.361905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.361905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.361905 (E_RNA) where: Base-Base interactions energy: -14.739 where: short stacking energy: -14.739 Base-Backbone interact. energy: -0.007 local terms energy: -25.615491 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -52.175194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.175194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.175194 (E_RNA) where: Base-Base interactions energy: -18.055 where: short stacking energy: -18.055 Base-Backbone interact. energy: -0.008 local terms energy: -34.111616 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -6.810 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: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -45.783935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.783935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.783935 (E_RNA) where: Base-Base interactions energy: -17.804 where: short stacking energy: -17.804 Base-Backbone interact. energy: -0.013 local terms energy: -27.966921 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -5.876 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: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -41.890454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.890454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.890454 (E_RNA) where: Base-Base interactions energy: -16.654 where: short stacking energy: -16.654 Base-Backbone interact. energy: -0.001 local terms energy: -25.235367 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -45.940058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.940058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.940058 (E_RNA) where: Base-Base interactions energy: -20.480 where: short stacking energy: -20.480 Base-Backbone interact. energy: -0.001 local terms energy: -25.459706 where: bonds (distance) C4'-P energy: -0.309 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -3.953 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: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -70.076863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.076863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.076863 (E_RNA) where: Base-Base interactions energy: -37.859 where: short stacking energy: -27.492 Base-Backbone interact. energy: -0.001 local terms energy: -32.216495 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -62.495483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.495483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.495483 (E_RNA) where: Base-Base interactions energy: -24.167 where: short stacking energy: -24.167 Base-Backbone interact. energy: -0.003 local terms energy: -38.324930 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -6.290 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: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -52.994735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.994735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.994735 (E_RNA) where: Base-Base interactions energy: -23.023 where: short stacking energy: -23.023 Base-Backbone interact. energy: -0.003 local terms energy: -29.968369 where: bonds (distance) C4'-P energy: -5.790 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -4.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -57.435127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.435127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.435127 (E_RNA) where: Base-Base interactions energy: -28.690 where: short stacking energy: -23.570 Base-Backbone interact. energy: -0.006 local terms energy: -28.738694 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -53.360156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.360156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.360156 (E_RNA) where: Base-Base interactions energy: -21.543 where: short stacking energy: -21.543 Base-Backbone interact. energy: -0.001 local terms energy: -31.816259 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -6.185 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: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -50.171523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.171523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.171523 (E_RNA) where: Base-Base interactions energy: -19.875 where: short stacking energy: -19.875 Base-Backbone interact. energy: -0.004 local terms energy: -30.292823 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -6.031 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: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -52.564213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.564213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.564213 (E_RNA) where: Base-Base interactions energy: -25.720 where: short stacking energy: -22.687 Base-Backbone interact. energy: -0.000 local terms energy: -26.843935 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -0.542 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -54.727211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.727211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.727211 (E_RNA) where: Base-Base interactions energy: -22.767 where: short stacking energy: -18.821 Base-Backbone interact. energy: -0.002 local terms energy: -31.958572 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -5.768 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: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -57.280720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.280720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.280720 (E_RNA) where: Base-Base interactions energy: -29.761 where: short stacking energy: -17.933 Base-Backbone interact. energy: -0.006 local terms energy: -27.514349 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -6.261 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: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -54.258793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.258793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.258793 (E_RNA) where: Base-Base interactions energy: -25.668 where: short stacking energy: -25.668 Base-Backbone interact. energy: -0.069 local terms energy: -28.521236 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -6.720 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: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -65.969206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.969206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.969206 (E_RNA) where: Base-Base interactions energy: -31.589 where: short stacking energy: -31.475 Base-Backbone interact. energy: -0.000 local terms energy: -34.379753 where: bonds (distance) C4'-P energy: -6.259 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -6.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -69.200883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.200883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.200883 (E_RNA) where: Base-Base interactions energy: -33.889 where: short stacking energy: -26.738 Base-Backbone interact. energy: -0.001 local terms energy: -35.311323 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -6.268 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -61.963992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.963992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.963992 (E_RNA) where: Base-Base interactions energy: -24.631 where: short stacking energy: -24.631 Base-Backbone interact. energy: -0.000 local terms energy: -37.332967 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -6.255 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: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -50.783946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.783946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.783946 (E_RNA) where: Base-Base interactions energy: -18.859 where: short stacking energy: -18.859 Base-Backbone interact. energy: -0.873 local terms energy: -31.052648 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -9.245 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -52.684323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.684323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.684323 (E_RNA) where: Base-Base interactions energy: -18.844 where: short stacking energy: -18.844 Base-Backbone interact. energy: -0.042 local terms energy: -33.798567 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -50.867994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.867994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.867994 (E_RNA) where: Base-Base interactions energy: -20.054 where: short stacking energy: -20.054 Base-Backbone interact. energy: -0.016 local terms energy: -30.797554 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -51.214834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.214834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.214834 (E_RNA) where: Base-Base interactions energy: -20.390 where: short stacking energy: -19.436 Base-Backbone interact. energy: -0.101 local terms energy: -30.724519 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -46.422861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.422861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.422861 (E_RNA) where: Base-Base interactions energy: -14.923 where: short stacking energy: -14.923 Base-Backbone interact. energy: -0.056 local terms energy: -31.443837 where: bonds (distance) C4'-P energy: -6.857 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -45.438854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.438854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.438854 (E_RNA) where: Base-Base interactions energy: -22.177 where: short stacking energy: -18.725 Base-Backbone interact. energy: -0.001 local terms energy: -23.260515 where: bonds (distance) C4'-P energy: -6.461 bonds (distance) P-C4' energy: -7.197 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -1.530 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -39.838863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.838863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.838863 (E_RNA) where: Base-Base interactions energy: -12.114 where: short stacking energy: -11.966 Base-Backbone interact. energy: -0.012 local terms energy: -27.713301 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -6.321 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: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -70.930119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.930119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.930119 (E_RNA) where: Base-Base interactions energy: -31.378 where: short stacking energy: -31.378 Base-Backbone interact. energy: -0.000 local terms energy: -39.551700 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -11.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -59.865420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.865420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.865420 (E_RNA) where: Base-Base interactions energy: -22.836 where: short stacking energy: -22.836 Base-Backbone interact. energy: 1.046 local terms energy: -38.074888 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -5.724 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: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -57.624717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.624717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.624717 (E_RNA) where: Base-Base interactions energy: -23.561 where: short stacking energy: -23.561 Base-Backbone interact. energy: -0.081 local terms energy: -33.982326 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -2.280 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -64.250092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.250092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.250092 (E_RNA) where: Base-Base interactions energy: -27.534 where: short stacking energy: -27.534 Base-Backbone interact. energy: -0.001 local terms energy: -36.715568 where: bonds (distance) C4'-P energy: -7.799 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: -7.015 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: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -56.605058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.605058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.605058 (E_RNA) where: Base-Base interactions energy: -30.196 where: short stacking energy: -26.925 Base-Backbone interact. energy: -0.022 local terms energy: -26.387383 where: bonds (distance) C4'-P energy: -4.893 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -3.561 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: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -54.642741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.642741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.642741 (E_RNA) where: Base-Base interactions energy: -27.206 where: short stacking energy: -18.890 Base-Backbone interact. energy: -0.004 local terms energy: -27.432373 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -4.057 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: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -49.993264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.993264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.993264 (E_RNA) where: Base-Base interactions energy: -16.923 where: short stacking energy: -16.923 Base-Backbone interact. energy: -0.068 local terms energy: -33.001911 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -42.593040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.593040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.593040 (E_RNA) where: Base-Base interactions energy: -15.283 where: short stacking energy: -15.283 Base-Backbone interact. energy: -0.003 local terms energy: -27.306969 where: bonds (distance) C4'-P energy: -8.259 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -6.368 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: 9, replica: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -49.318433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.318433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.318433 (E_RNA) where: Base-Base interactions energy: -21.226 where: short stacking energy: -21.226 Base-Backbone interact. energy: -0.022 local terms energy: -28.070770 where: bonds (distance) C4'-P energy: -5.130 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -40.373826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.373826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.373826 (E_RNA) where: Base-Base interactions energy: -14.847 where: short stacking energy: -14.847 Base-Backbone interact. energy: -0.327 local terms energy: -25.199934 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -0.594 tors. eta vs tors. theta energy: -2.120 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: 395 Temperature: 0.900000 Total energy: -57.796170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.796170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.796170 (E_RNA) where: Base-Base interactions energy: -25.445 where: short stacking energy: -25.445 Base-Backbone interact. energy: -0.000 local terms energy: -32.351398 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -54.650231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.650231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.650231 (E_RNA) where: Base-Base interactions energy: -21.164 where: short stacking energy: -21.164 Base-Backbone interact. energy: -0.001 local terms energy: -33.485661 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -8.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -57.192156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.192156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.192156 (E_RNA) where: Base-Base interactions energy: -26.636 where: short stacking energy: -23.907 Base-Backbone interact. energy: -0.105 local terms energy: -30.450886 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -49.397345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.397345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.397345 (E_RNA) where: Base-Base interactions energy: -18.585 where: short stacking energy: -17.403 Base-Backbone interact. energy: -0.029 local terms energy: -30.783135 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -53.279258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.279258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.279258 (E_RNA) where: Base-Base interactions energy: -19.484 where: short stacking energy: -19.300 Base-Backbone interact. energy: -0.011 local terms energy: -33.784408 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -65.574624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.574624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.574624 (E_RNA) where: Base-Base interactions energy: -35.237 where: short stacking energy: -16.738 Base-Backbone interact. energy: -0.092 local terms energy: -30.245645 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -4.658 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: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -50.952662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.952662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.952662 (E_RNA) where: Base-Base interactions energy: -19.661 where: short stacking energy: -19.661 Base-Backbone interact. energy: -0.081 local terms energy: -31.209854 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -4.777 flat angles C4'-P-C4' energy: -8.361 flat angles P-C4'-P energy: -5.307 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: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -49.005272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.005272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.005272 (E_RNA) where: Base-Base interactions energy: -19.792 where: short stacking energy: -10.274 Base-Backbone interact. energy: -0.039 local terms energy: -29.174434 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -7.248 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: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -39.029579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.029579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.029579 (E_RNA) where: Base-Base interactions energy: -13.903 where: short stacking energy: -9.789 Base-Backbone interact. energy: -0.054 local terms energy: -25.071894 where: bonds (distance) C4'-P energy: -4.579 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -46.723054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.723054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.723054 (E_RNA) where: Base-Base interactions energy: -18.086 where: short stacking energy: -18.086 Base-Backbone interact. energy: -0.014 local terms energy: -28.623055 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -74.804242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.804242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.804242 (E_RNA) where: Base-Base interactions energy: -37.336 where: short stacking energy: -29.301 Base-Backbone interact. energy: -0.000 local terms energy: -37.467706 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -8.497 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: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -67.165487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.165487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.165487 (E_RNA) where: Base-Base interactions energy: -33.646 where: short stacking energy: -27.216 Base-Backbone interact. energy: -0.000 local terms energy: -33.519523 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -3.983 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: 3, replica: 10 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -64.577333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.577333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.577333 (E_RNA) where: Base-Base interactions energy: -35.384 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.461 local terms energy: -28.732986 where: bonds (distance) C4'-P energy: -7.273 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -53.034984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.034984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.034984 (E_RNA) where: Base-Base interactions energy: -20.011 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.009 local terms energy: -33.015357 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -59.535259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.535259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.535259 (E_RNA) where: Base-Base interactions energy: -23.726 where: short stacking energy: -23.726 Base-Backbone interact. energy: -0.000 local terms energy: -35.809293 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -7.835 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: 396 Temperature: 1.150000 Total energy: -45.613298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.613298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.613298 (E_RNA) where: Base-Base interactions energy: -18.701 where: short stacking energy: -18.701 Base-Backbone interact. energy: -0.001 local terms energy: -26.911630 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -49.755814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.755814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.755814 (E_RNA) where: Base-Base interactions energy: -17.703 where: short stacking energy: -16.899 Base-Backbone interact. energy: -0.064 local terms energy: -31.988700 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -5.852 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: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -51.608055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.608055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.608055 (E_RNA) where: Base-Base interactions energy: -19.386 where: short stacking energy: -19.386 Base-Backbone interact. energy: -0.000 local terms energy: -32.221743 where: bonds (distance) C4'-P energy: -8.043 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -0.968 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: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -44.343479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.343479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.343479 (E_RNA) where: Base-Base interactions energy: -14.333 where: short stacking energy: -14.333 Base-Backbone interact. energy: -0.069 local terms energy: -29.941047 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -5.828 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: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -49.206704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.206704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.206704 (E_RNA) where: Base-Base interactions energy: -20.597 where: short stacking energy: -20.597 Base-Backbone interact. energy: -0.000 local terms energy: -28.609628 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -71.189831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.189831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.189831 (E_RNA) where: Base-Base interactions energy: -29.576 where: short stacking energy: -29.576 Base-Backbone interact. energy: -0.004 local terms energy: -41.609846 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -10.334 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: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -71.217654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.217654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.217654 (E_RNA) where: Base-Base interactions energy: -33.371 where: short stacking energy: -20.169 Base-Backbone interact. energy: -2.117 local terms energy: -35.728811 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -6.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -64.764482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.764482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.764482 (E_RNA) where: Base-Base interactions energy: -30.088 where: short stacking energy: -23.887 Base-Backbone interact. energy: -0.000 local terms energy: -34.676150 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.594 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -6.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -59.237829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.237829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.237829 (E_RNA) where: Base-Base interactions energy: -28.614 where: short stacking energy: -28.614 Base-Backbone interact. energy: -0.001 local terms energy: -30.622135 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -4.132 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -8.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -55.515383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.515383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.515383 (E_RNA) where: Base-Base interactions energy: -20.738 where: short stacking energy: -20.738 Base-Backbone interact. energy: -0.000 local terms energy: -34.777038 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -5.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -49.497843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.497843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.497843 (E_RNA) where: Base-Base interactions energy: -21.742 where: short stacking energy: -21.742 Base-Backbone interact. energy: 0.634 local terms energy: -28.390290 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -7.420 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: 7, replica: 1 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -40.722304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.722304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.722304 (E_RNA) where: Base-Base interactions energy: -15.887 where: short stacking energy: -12.911 Base-Backbone interact. energy: -0.173 local terms energy: -24.662499 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -2.881 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: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -44.828383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.828383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.828383 (E_RNA) where: Base-Base interactions energy: -12.273 where: short stacking energy: -12.273 Base-Backbone interact. energy: -0.003 local terms energy: -32.553160 where: bonds (distance) C4'-P energy: -4.734 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -52.759699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.759699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.759699 (E_RNA) where: Base-Base interactions energy: -21.231 where: short stacking energy: -21.231 Base-Backbone interact. energy: -0.002 local terms energy: -31.526738 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.578 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -5.556 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: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -39.972890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.972890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.972890 (E_RNA) where: Base-Base interactions energy: -12.606 where: short stacking energy: -12.606 Base-Backbone interact. energy: -0.000 local terms energy: -27.366808 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -2.356 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: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -75.555074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.555074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.555074 (E_RNA) where: Base-Base interactions energy: -42.022 where: short stacking energy: -27.824 Base-Backbone interact. energy: -0.000 local terms energy: -33.532663 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -6.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -54.986505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.986505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.986505 (E_RNA) where: Base-Base interactions energy: -22.687 where: short stacking energy: -21.437 Base-Backbone interact. energy: -0.026 local terms energy: -32.274048 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -3.128 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: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -60.167455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.167455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.167455 (E_RNA) where: Base-Base interactions energy: -32.116 where: short stacking energy: -20.631 Base-Backbone interact. energy: -0.101 local terms energy: -27.950149 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -3.955 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -2.200 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: 4, replica: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -52.057213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.057213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.057213 (E_RNA) where: Base-Base interactions energy: -20.441 where: short stacking energy: -20.441 Base-Backbone interact. energy: -0.000 local terms energy: -31.615765 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -3.487 flat angles P-C4'-P energy: -5.768 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: 5, replica: 4 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -55.000955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.000955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.000955 (E_RNA) where: Base-Base interactions energy: -21.076 where: short stacking energy: -17.319 Base-Backbone interact. energy: -0.001 local terms energy: -33.924135 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -4.914 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: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -49.433438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.433438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.433438 (E_RNA) where: Base-Base interactions energy: -19.487 where: short stacking energy: -19.487 Base-Backbone interact. energy: -0.000 local terms energy: -29.946272 where: bonds (distance) C4'-P energy: -5.157 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -3.103 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: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -52.696197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.696197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.696197 (E_RNA) where: Base-Base interactions energy: -19.763 where: short stacking energy: -19.904 Base-Backbone interact. energy: -0.060 local terms energy: -32.873624 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -6.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -54.165837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.165837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.165837 (E_RNA) where: Base-Base interactions energy: -21.568 where: short stacking energy: -18.090 Base-Backbone interact. energy: 0.824 local terms energy: -33.421947 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -4.235 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: 9, replica: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -41.180163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.180163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.180163 (E_RNA) where: Base-Base interactions energy: -16.204 where: short stacking energy: -15.058 Base-Backbone interact. energy: -0.141 local terms energy: -24.835242 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: 1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -41.613278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.613278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.613278 (E_RNA) where: Base-Base interactions energy: -13.235 where: short stacking energy: -13.235 Base-Backbone interact. energy: -0.019 local terms energy: -28.358818 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: 0.258 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -5.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -68.098552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.098552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.098552 (E_RNA) where: Base-Base interactions energy: -30.558 where: short stacking energy: -30.558 Base-Backbone interact. energy: -0.000 local terms energy: -37.540943 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.536 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -9.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -60.943947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.943947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.943947 (E_RNA) where: Base-Base interactions energy: -28.663 where: short stacking energy: -26.421 Base-Backbone interact. energy: -0.002 local terms energy: -32.278810 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -6.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -67.775183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.775183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.775183 (E_RNA) where: Base-Base interactions energy: -32.517 where: short stacking energy: -32.517 Base-Backbone interact. energy: -0.000 local terms energy: -35.258467 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -8.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -58.666573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.666573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.666573 (E_RNA) where: Base-Base interactions energy: -26.485 where: short stacking energy: -22.275 Base-Backbone interact. energy: -0.015 local terms energy: -32.166701 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -5.996 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: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -48.252605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.252605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.252605 (E_RNA) where: Base-Base interactions energy: -19.031 where: short stacking energy: -19.031 Base-Backbone interact. energy: -0.011 local terms energy: -29.210624 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -2.739 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: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -45.988245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.988245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.988245 (E_RNA) where: Base-Base interactions energy: -15.773 where: short stacking energy: -15.773 Base-Backbone interact. energy: -0.004 local terms energy: -30.210643 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -44.387371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.387371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.387371 (E_RNA) where: Base-Base interactions energy: -18.159 where: short stacking energy: -18.159 Base-Backbone interact. energy: -0.010 local terms energy: -26.218501 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -2.149 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: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -47.681085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.681085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.681085 (E_RNA) where: Base-Base interactions energy: -16.411 where: short stacking energy: -10.318 Base-Backbone interact. energy: -0.033 local terms energy: -31.236499 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -48.816450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.816450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.816450 (E_RNA) where: Base-Base interactions energy: -16.536 where: short stacking energy: -16.536 Base-Backbone interact. energy: -0.000 local terms energy: -32.280266 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -5.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -41.234918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.234918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.234918 (E_RNA) where: Base-Base interactions energy: -11.998 where: short stacking energy: -11.998 Base-Backbone interact. energy: -0.003 local terms energy: -29.234480 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -65.108573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.108573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.108573 (E_RNA) where: Base-Base interactions energy: -30.738 where: short stacking energy: -30.738 Base-Backbone interact. energy: -0.000 local terms energy: -34.369815 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -58.192713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.192713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.192713 (E_RNA) where: Base-Base interactions energy: -24.124 where: short stacking energy: -24.124 Base-Backbone interact. energy: -0.054 local terms energy: -34.014351 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -69.991647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.991647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.991647 (E_RNA) where: Base-Base interactions energy: -35.449 where: short stacking energy: -25.541 Base-Backbone interact. energy: -0.000 local terms energy: -34.541827 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -7.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -50.115080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.115080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.115080 (E_RNA) where: Base-Base interactions energy: -17.524 where: short stacking energy: -17.524 Base-Backbone interact. energy: -0.004 local terms energy: -32.587874 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -52.501569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.501569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.501569 (E_RNA) where: Base-Base interactions energy: -21.073 where: short stacking energy: -21.073 Base-Backbone interact. energy: -0.020 local terms energy: -31.408496 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -52.745865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.745865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.745865 (E_RNA) where: Base-Base interactions energy: -21.592 where: short stacking energy: -21.592 Base-Backbone interact. energy: -0.001 local terms energy: -31.153206 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.543 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: 7, replica: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -43.961155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.961155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.961155 (E_RNA) where: Base-Base interactions energy: -16.486 where: short stacking energy: -16.486 Base-Backbone interact. energy: -0.119 local terms energy: -27.356733 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -5.058 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: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -48.409352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.409352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.409352 (E_RNA) where: Base-Base interactions energy: -25.681 where: short stacking energy: -11.937 Base-Backbone interact. energy: -0.041 local terms energy: -22.687422 where: bonds (distance) C4'-P energy: -2.008 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -45.877787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.877787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.877787 (E_RNA) where: Base-Base interactions energy: -26.624 where: short stacking energy: -23.545 Base-Backbone interact. energy: -0.013 local terms energy: -19.240729 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -37.115166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.115166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.115166 (E_RNA) where: Base-Base interactions energy: -9.865 where: short stacking energy: -9.865 Base-Backbone interact. energy: -0.000 local terms energy: -27.250271 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -3.663 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: 1, replica: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -63.106904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.106904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.106904 (E_RNA) where: Base-Base interactions energy: -31.802 where: short stacking energy: -26.266 Base-Backbone interact. energy: -0.001 local terms energy: -31.304059 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -4.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -65.395348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.395348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.395348 (E_RNA) where: Base-Base interactions energy: -33.200 where: short stacking energy: -17.109 Base-Backbone interact. energy: -0.063 local terms energy: -32.132264 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -62.386206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.386206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.386206 (E_RNA) where: Base-Base interactions energy: -27.330 where: short stacking energy: -27.330 Base-Backbone interact. energy: -0.000 local terms energy: -35.056283 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -6.004 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: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -53.990322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.990322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.990322 (E_RNA) where: Base-Base interactions energy: -19.679 where: short stacking energy: -19.679 Base-Backbone interact. energy: -0.002 local terms energy: -34.309488 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -5.109 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: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -61.771523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.771523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.771523 (E_RNA) where: Base-Base interactions energy: -24.588 where: short stacking energy: -24.588 Base-Backbone interact. energy: -0.332 local terms energy: -36.851343 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -48.094193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.094193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.094193 (E_RNA) where: Base-Base interactions energy: -18.121 where: short stacking energy: -18.121 Base-Backbone interact. energy: -0.102 local terms energy: -29.871542 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -43.684601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.684601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.684601 (E_RNA) where: Base-Base interactions energy: -17.082 where: short stacking energy: -12.878 Base-Backbone interact. energy: -0.020 local terms energy: -26.583052 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -1.993 tors. eta vs tors. theta energy: -1.872 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: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -50.535681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.535681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.535681 (E_RNA) where: Base-Base interactions energy: -19.125 where: short stacking energy: -19.125 Base-Backbone interact. energy: -0.093 local terms energy: -31.317721 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -4.461 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: 9, replica: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -44.027787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.027787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.027787 (E_RNA) where: Base-Base interactions energy: -16.926 where: short stacking energy: -16.926 Base-Backbone interact. energy: 0.337 local terms energy: -27.439233 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -45.663224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.663224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.663224 (E_RNA) where: Base-Base interactions energy: -16.756 where: short stacking energy: -16.756 Base-Backbone interact. energy: -0.151 local terms energy: -28.756122 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -71.125856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.125856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.125856 (E_RNA) where: Base-Base interactions energy: -33.224 where: short stacking energy: -33.224 Base-Backbone interact. energy: -0.000 local terms energy: -37.901741 where: bonds (distance) C4'-P energy: -7.389 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -9.152 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -11.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -65.686030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.686030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.686030 (E_RNA) where: Base-Base interactions energy: -30.188 where: short stacking energy: -30.188 Base-Backbone interact. energy: -0.073 local terms energy: -35.424710 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -9.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -56.871231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.871231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.871231 (E_RNA) where: Base-Base interactions energy: -26.342 where: short stacking energy: -26.342 Base-Backbone interact. energy: -0.000 local terms energy: -30.528719 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -53.796498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.796498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.796498 (E_RNA) where: Base-Base interactions energy: -20.552 where: short stacking energy: -20.552 Base-Backbone interact. energy: -0.056 local terms energy: -33.189167 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -7.684 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -6.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -46.905441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.905441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.905441 (E_RNA) where: Base-Base interactions energy: -18.762 where: short stacking energy: -18.762 Base-Backbone interact. energy: -0.000 local terms energy: -28.143540 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -1.182 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: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -54.151414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.151414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.151414 (E_RNA) where: Base-Base interactions energy: -23.160 where: short stacking energy: -23.160 Base-Backbone interact. energy: -0.010 local terms energy: -30.981756 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -5.039 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: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -49.391890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.391890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.391890 (E_RNA) where: Base-Base interactions energy: -18.651 where: short stacking energy: -18.651 Base-Backbone interact. energy: -0.000 local terms energy: -30.740203 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -2.134 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -58.910991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.910991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.910991 (E_RNA) where: Base-Base interactions energy: -30.381 where: short stacking energy: -24.253 Base-Backbone interact. energy: -0.000 local terms energy: -28.530015 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.765 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -1.579 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: 1 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -42.118205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.118205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.118205 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -12.248 Base-Backbone interact. energy: -0.000 local terms energy: -28.033552 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -40.178857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.178857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.178857 (E_RNA) where: Base-Base interactions energy: -11.864 where: short stacking energy: -11.864 Base-Backbone interact. energy: -0.002 local terms energy: -28.312963 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -73.141165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.141165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.141165 (E_RNA) where: Base-Base interactions energy: -31.813 where: short stacking energy: -31.813 Base-Backbone interact. energy: -0.000 local terms energy: -41.327907 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -9.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -73.219120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.219120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.219120 (E_RNA) where: Base-Base interactions energy: -36.843 where: short stacking energy: -28.847 Base-Backbone interact. energy: -2.632 local terms energy: -33.744341 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -6.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -53.753579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.753579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.753579 (E_RNA) where: Base-Base interactions energy: -18.951 where: short stacking energy: -16.302 Base-Backbone interact. energy: -0.000 local terms energy: -34.802054 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -60.024799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.024799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.024799 (E_RNA) where: Base-Base interactions energy: -27.876 where: short stacking energy: -13.901 Base-Backbone interact. energy: -0.761 local terms energy: -31.388031 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -6.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -46.289060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.289060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.289060 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -18.019 Base-Backbone interact. energy: -0.003 local terms energy: -28.267140 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -5.236 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -52.837323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.837323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.837323 (E_RNA) where: Base-Base interactions energy: -23.437 where: short stacking energy: -23.437 Base-Backbone interact. energy: -0.000 local terms energy: -29.400335 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -4.422 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: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -46.288616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.288616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.288616 (E_RNA) where: Base-Base interactions energy: -21.034 where: short stacking energy: -19.901 Base-Backbone interact. energy: -0.028 local terms energy: -25.226199 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -1.213 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: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -45.720328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.720328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.720328 (E_RNA) where: Base-Base interactions energy: -12.738 where: short stacking energy: -12.738 Base-Backbone interact. energy: -0.009 local terms energy: -32.973077 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -5.194 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: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -44.366324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.366324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.366324 (E_RNA) where: Base-Base interactions energy: -15.139 where: short stacking energy: -11.614 Base-Backbone interact. energy: -0.002 local terms energy: -29.225953 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -42.196531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.196531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.196531 (E_RNA) where: Base-Base interactions energy: -20.487 where: short stacking energy: -13.265 Base-Backbone interact. energy: -0.001 local terms energy: -21.708641 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -6.349 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -0.401 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: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -75.102542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.102542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.102542 (E_RNA) where: Base-Base interactions energy: -39.483 where: short stacking energy: -25.815 Base-Backbone interact. energy: -0.941 local terms energy: -34.678500 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.446 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: 2, replica: 4 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -56.790864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.790864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.790864 (E_RNA) where: Base-Base interactions energy: -21.997 where: short stacking energy: -21.997 Base-Backbone interact. energy: -0.905 local terms energy: -33.888976 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -65.474643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.474643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.474643 (E_RNA) where: Base-Base interactions energy: -29.842 where: short stacking energy: -23.809 Base-Backbone interact. energy: -0.001 local terms energy: -35.631129 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -6.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -64.016948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.016948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.016948 (E_RNA) where: Base-Base interactions energy: -30.160 where: short stacking energy: -24.919 Base-Backbone interact. energy: -0.000 local terms energy: -33.857155 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -6.683 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: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -47.272931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.272931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.272931 (E_RNA) where: Base-Base interactions energy: -18.675 where: short stacking energy: -9.692 Base-Backbone interact. energy: 1.241 local terms energy: -29.838725 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: 0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -48.378737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.378737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.378737 (E_RNA) where: Base-Base interactions energy: -16.884 where: short stacking energy: -16.078 Base-Backbone interact. energy: -0.007 local terms energy: -31.488074 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -2.589 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: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -45.816131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.816131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.816131 (E_RNA) where: Base-Base interactions energy: -14.213 where: short stacking energy: -14.213 Base-Backbone interact. energy: -0.017 local terms energy: -31.585740 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -50.680626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.680626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.680626 (E_RNA) where: Base-Base interactions energy: -22.498 where: short stacking energy: -22.498 Base-Backbone interact. energy: -0.000 local terms energy: -28.182778 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -0.678 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: 8 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -42.055919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.055919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.055919 (E_RNA) where: Base-Base interactions energy: -14.535 where: short stacking energy: -14.535 Base-Backbone interact. energy: -0.092 local terms energy: -27.428740 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -2.398 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -39.140304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.140304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.140304 (E_RNA) where: Base-Base interactions energy: -11.066 where: short stacking energy: -11.066 Base-Backbone interact. energy: -0.090 local terms energy: -27.983895 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -3.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -83.323885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.323885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.323885 (E_RNA) where: Base-Base interactions energy: -44.168 where: short stacking energy: -27.813 Base-Backbone interact. energy: -0.110 local terms energy: -39.045628 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -9.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -61.923539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.923539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.923539 (E_RNA) where: Base-Base interactions energy: -26.806 where: short stacking energy: -26.806 Base-Backbone interact. energy: -0.019 local terms energy: -35.098124 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -8.382 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -5.863 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: 3, replica: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -55.151588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.151588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.151588 (E_RNA) where: Base-Base interactions energy: -23.192 where: short stacking energy: -18.745 Base-Backbone interact. energy: -0.038 local terms energy: -31.922286 where: bonds (distance) C4'-P energy: -6.872 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -4.560 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: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -52.586583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.586583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.586583 (E_RNA) where: Base-Base interactions energy: -23.815 where: short stacking energy: -16.069 Base-Backbone interact. energy: -0.004 local terms energy: -28.767450 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -3.920 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: 5, replica: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -55.615339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.615339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.615339 (E_RNA) where: Base-Base interactions energy: -24.594 where: short stacking energy: -24.594 Base-Backbone interact. energy: -0.002 local terms energy: -31.019932 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -7.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -57.465761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.465761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.465761 (E_RNA) where: Base-Base interactions energy: -23.529 where: short stacking energy: -23.529 Base-Backbone interact. energy: -0.000 local terms energy: -33.936744 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -6.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -48.582416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.582416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.582416 (E_RNA) where: Base-Base interactions energy: -17.540 where: short stacking energy: -16.047 Base-Backbone interact. energy: 0.028 local terms energy: -31.070894 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -3.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -48.654089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.654089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.654089 (E_RNA) where: Base-Base interactions energy: -21.155 where: short stacking energy: -21.155 Base-Backbone interact. energy: -0.479 local terms energy: -27.020169 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -2.842 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: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -40.379006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.379006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.379006 (E_RNA) where: Base-Base interactions energy: -15.248 where: short stacking energy: -15.248 Base-Backbone interact. energy: -0.010 local terms energy: -25.120926 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -5.006 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: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -41.529467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.529467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.529467 (E_RNA) where: Base-Base interactions energy: -12.164 where: short stacking energy: -10.635 Base-Backbone interact. energy: 1.450 local terms energy: -30.815310 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -81.799284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.799284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.799284 (E_RNA) where: Base-Base interactions energy: -46.789 where: short stacking energy: -28.698 Base-Backbone interact. energy: -0.096 local terms energy: -34.914391 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -7.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -65.795293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.795293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.795293 (E_RNA) where: Base-Base interactions energy: -29.567 where: short stacking energy: -22.286 Base-Backbone interact. energy: -0.062 local terms energy: -36.166439 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -6.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -60.456440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.456440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.456440 (E_RNA) where: Base-Base interactions energy: -26.797 where: short stacking energy: -25.679 Base-Backbone interact. energy: -0.002 local terms energy: -33.657752 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.924 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -5.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -63.322042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.322042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.322042 (E_RNA) where: Base-Base interactions energy: -30.173 where: short stacking energy: -27.646 Base-Backbone interact. energy: -0.000 local terms energy: -33.149000 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: 0.337 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: 5, replica: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -55.529340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.529340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.529340 (E_RNA) where: Base-Base interactions energy: -26.041 where: short stacking energy: -26.041 Base-Backbone interact. energy: -0.000 local terms energy: -29.488640 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.464 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -6.768 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: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -45.648468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.648468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.648468 (E_RNA) where: Base-Base interactions energy: -12.253 where: short stacking energy: -8.391 Base-Backbone interact. energy: -0.052 local terms energy: -33.343976 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.577 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -46.614800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.614800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.614800 (E_RNA) where: Base-Base interactions energy: -14.803 where: short stacking energy: -14.004 Base-Backbone interact. energy: -0.271 local terms energy: -31.541083 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.662 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -44.389268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.389268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.389268 (E_RNA) where: Base-Base interactions energy: -19.727 where: short stacking energy: -19.727 Base-Backbone interact. energy: -0.004 local terms energy: -24.657595 where: bonds (distance) C4'-P energy: -4.484 bonds (distance) P-C4' energy: -3.914 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -47.802459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.802459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.802459 (E_RNA) where: Base-Base interactions energy: -20.752 where: short stacking energy: -16.818 Base-Backbone interact. energy: 1.547 local terms energy: -28.597254 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -2.411 tors. eta vs tors. theta energy: -5.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -50.549428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.549428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.549428 (E_RNA) where: Base-Base interactions energy: -26.141 where: short stacking energy: -12.526 Base-Backbone interact. energy: 0.009 local terms energy: -24.417196 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -2.728 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: 1, replica: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -83.364889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.364889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.364889 (E_RNA) where: Base-Base interactions energy: -46.539 where: short stacking energy: -30.228 Base-Backbone interact. energy: -0.001 local terms energy: -36.825193 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -3.898 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: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -65.353598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.353598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.353598 (E_RNA) where: Base-Base interactions energy: -34.026 where: short stacking energy: -22.218 Base-Backbone interact. energy: -0.656 local terms energy: -30.671387 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -7.129 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -58.683733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.683733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.683733 (E_RNA) where: Base-Base interactions energy: -28.684 where: short stacking energy: -24.464 Base-Backbone interact. energy: -0.862 local terms energy: -29.137652 where: bonds (distance) C4'-P energy: -3.460 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -4.953 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: 4, replica: 7 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -66.241261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.241261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.241261 (E_RNA) where: Base-Base interactions energy: -33.951 where: short stacking energy: -19.471 Base-Backbone interact. energy: 0.319 local terms energy: -32.608693 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -61.421191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.421191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.421191 (E_RNA) where: Base-Base interactions energy: -34.314 where: short stacking energy: -18.280 Base-Backbone interact. energy: -0.005 local terms energy: -27.102451 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -2.392 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -51.280819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.280819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.280819 (E_RNA) where: Base-Base interactions energy: -21.459 where: short stacking energy: -21.459 Base-Backbone interact. energy: -0.044 local terms energy: -29.778351 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -7.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -53.277584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.277584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.277584 (E_RNA) where: Base-Base interactions energy: -24.202 where: short stacking energy: -24.202 Base-Backbone interact. energy: -0.001 local terms energy: -29.074802 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -39.348438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.348438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.348438 (E_RNA) where: Base-Base interactions energy: -15.693 where: short stacking energy: -11.002 Base-Backbone interact. energy: -0.106 local terms energy: -23.549439 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: -0.890 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: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -44.525020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.525020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.525020 (E_RNA) where: Base-Base interactions energy: -19.678 where: short stacking energy: -9.868 Base-Backbone interact. energy: -0.031 local terms energy: -24.815718 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: 1.499 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: 407 Temperature: 1.350000 Total energy: -53.904569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.904569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.904569 (E_RNA) where: Base-Base interactions energy: -20.475 where: short stacking energy: -20.475 Base-Backbone interact. energy: -0.039 local terms energy: -33.390554 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -6.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -80.595767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.595767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.595767 (E_RNA) where: Base-Base interactions energy: -45.576 where: short stacking energy: -30.251 Base-Backbone interact. energy: -0.003 local terms energy: -35.016631 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -5.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -66.426882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.426882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.426882 (E_RNA) where: Base-Base interactions energy: -27.163 where: short stacking energy: -27.163 Base-Backbone interact. energy: -0.001 local terms energy: -39.262590 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -5.359 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: 3, replica: 7 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -78.072191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.072191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.072191 (E_RNA) where: Base-Base interactions energy: -45.860 where: short stacking energy: -29.264 Base-Backbone interact. energy: -0.008 local terms energy: -32.204019 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -5.918 flat angles C4'-P-C4' energy: -8.783 flat angles P-C4'-P energy: -4.364 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: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -59.810355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.810355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.810355 (E_RNA) where: Base-Base interactions energy: -24.962 where: short stacking energy: -24.962 Base-Backbone interact. energy: -0.008 local terms energy: -34.840231 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -6.762 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: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -48.206617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.206617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.206617 (E_RNA) where: Base-Base interactions energy: -22.367 where: short stacking energy: -22.367 Base-Backbone interact. energy: -0.004 local terms energy: -25.835322 where: bonds (distance) C4'-P energy: -3.130 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -2.102 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: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -52.168847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.168847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.168847 (E_RNA) where: Base-Base interactions energy: -20.181 where: short stacking energy: -20.181 Base-Backbone interact. energy: -0.010 local terms energy: -31.978326 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -47.756614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.756614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.756614 (E_RNA) where: Base-Base interactions energy: -24.367 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.491 local terms energy: -22.897926 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: 0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -43.202123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.202123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.202123 (E_RNA) where: Base-Base interactions energy: -13.222 where: short stacking energy: -13.222 Base-Backbone interact. energy: -0.000 local terms energy: -29.979556 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -4.656 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: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -44.488865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.488865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.488865 (E_RNA) where: Base-Base interactions energy: -13.598 where: short stacking energy: -13.598 Base-Backbone interact. energy: -0.001 local terms energy: -30.890002 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -5.310 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: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -45.772531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.772531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.772531 (E_RNA) where: Base-Base interactions energy: -16.653 where: short stacking energy: -16.653 Base-Backbone interact. energy: -0.001 local terms energy: -29.118605 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -4.190 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: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -81.453209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.453209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.453209 (E_RNA) where: Base-Base interactions energy: -46.893 where: short stacking energy: -28.014 Base-Backbone interact. energy: -0.001 local terms energy: -34.558587 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.701 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -58.841378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.841378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.841378 (E_RNA) where: Base-Base interactions energy: -23.792 where: short stacking energy: -23.792 Base-Backbone interact. energy: -0.000 local terms energy: -35.049013 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -7.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -62.469132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.469132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.469132 (E_RNA) where: Base-Base interactions energy: -27.886 where: short stacking energy: -27.886 Base-Backbone interact. energy: -0.000 local terms energy: -34.582468 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -8.486 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: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -57.178581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.178581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.178581 (E_RNA) where: Base-Base interactions energy: -24.260 where: short stacking energy: -24.259 Base-Backbone interact. energy: -0.067 local terms energy: -32.851658 where: bonds (distance) C4'-P energy: -5.221 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -5.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -54.190050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.190050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.190050 (E_RNA) where: Base-Base interactions energy: -20.205 where: short stacking energy: -19.778 Base-Backbone interact. energy: -0.140 local terms energy: -33.844522 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -9.029 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -55.979052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.979052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.979052 (E_RNA) where: Base-Base interactions energy: -25.407 where: short stacking energy: -17.189 Base-Backbone interact. energy: -0.085 local terms energy: -30.487149 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -46.553133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.553133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.553133 (E_RNA) where: Base-Base interactions energy: -15.999 where: short stacking energy: -15.999 Base-Backbone interact. energy: -0.003 local terms energy: -30.551866 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -46.461234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.461234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.461234 (E_RNA) where: Base-Base interactions energy: -25.113 where: short stacking energy: -16.275 Base-Backbone interact. energy: -0.076 local terms energy: -21.271985 where: bonds (distance) C4'-P energy: -2.447 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -47.298019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.298019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.298019 (E_RNA) where: Base-Base interactions energy: -16.599 where: short stacking energy: -16.599 Base-Backbone interact. energy: -0.094 local terms energy: -30.605409 where: bonds (distance) C4'-P energy: -5.862 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -41.647302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.647302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.647302 (E_RNA) where: Base-Base interactions energy: -13.373 where: short stacking energy: -13.373 Base-Backbone interact. energy: -0.142 local terms energy: -28.132123 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -80.236204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.236204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.236204 (E_RNA) where: Base-Base interactions energy: -44.043 where: short stacking energy: -29.872 Base-Backbone interact. energy: 1.385 local terms energy: -37.577538 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -64.628231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.628231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.628231 (E_RNA) where: Base-Base interactions energy: -30.957 where: short stacking energy: -30.957 Base-Backbone interact. energy: -0.000 local terms energy: -33.670791 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -9.349 flat angles P-C4'-P energy: -2.045 tors. eta vs tors. theta energy: -7.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -61.091718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.091718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.091718 (E_RNA) where: Base-Base interactions energy: -26.758 where: short stacking energy: -20.474 Base-Backbone interact. energy: -0.060 local terms energy: -34.273782 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -5.530 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: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -56.520088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.520088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.520088 (E_RNA) where: Base-Base interactions energy: -21.942 where: short stacking energy: -21.942 Base-Backbone interact. energy: -0.001 local terms energy: -34.576292 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -5.561 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: 5, replica: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -53.123105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.123105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.123105 (E_RNA) where: Base-Base interactions energy: -24.301 where: short stacking energy: -24.301 Base-Backbone interact. energy: -0.032 local terms energy: -28.789540 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -1.077 tors. eta vs tors. theta energy: -7.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -53.224733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.224733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.224733 (E_RNA) where: Base-Base interactions energy: -24.902 where: short stacking energy: -21.696 Base-Backbone interact. energy: -0.008 local terms energy: -28.315181 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -0.959 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: -6.914 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: 8 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -47.166357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.166357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.166357 (E_RNA) where: Base-Base interactions energy: -16.096 where: short stacking energy: -16.096 Base-Backbone interact. energy: -0.001 local terms energy: -31.069598 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -7.269 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: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -44.680748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.680748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.680748 (E_RNA) where: Base-Base interactions energy: -15.542 where: short stacking energy: -11.197 Base-Backbone interact. energy: -0.075 local terms energy: -29.063284 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -36.542267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.542267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.542267 (E_RNA) where: Base-Base interactions energy: -10.787 where: short stacking energy: -10.787 Base-Backbone interact. energy: -0.012 local terms energy: -25.744039 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -3.902 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -46.087799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.087799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.087799 (E_RNA) where: Base-Base interactions energy: -19.934 where: short stacking energy: -17.249 Base-Backbone interact. energy: 0.256 local terms energy: -26.409348 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -2.052 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: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -80.653626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.653626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.653626 (E_RNA) where: Base-Base interactions energy: -46.601 where: short stacking energy: -27.163 Base-Backbone interact. energy: -0.003 local terms energy: -34.050214 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -4.304 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: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -60.582667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.582667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.582667 (E_RNA) where: Base-Base interactions energy: -27.415 where: short stacking energy: -20.089 Base-Backbone interact. energy: -0.013 local terms energy: -33.155339 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -56.520486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.520486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.520486 (E_RNA) where: Base-Base interactions energy: -23.938 where: short stacking energy: -23.938 Base-Backbone interact. energy: -0.000 local terms energy: -32.582608 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.027 flat angles C4'-P-C4' energy: -9.273 flat angles P-C4'-P energy: -3.437 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: 4, replica: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -56.394819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.394819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.394819 (E_RNA) where: Base-Base interactions energy: -21.282 where: short stacking energy: -21.282 Base-Backbone interact. energy: -0.072 local terms energy: -35.040250 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -53.412049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.412049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.412049 (E_RNA) where: Base-Base interactions energy: -23.654 where: short stacking energy: -10.467 Base-Backbone interact. energy: -0.207 local terms energy: -29.551150 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: 0.005 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: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -54.012342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.012342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.012342 (E_RNA) where: Base-Base interactions energy: -21.624 where: short stacking energy: -21.624 Base-Backbone interact. energy: -0.013 local terms energy: -32.375011 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -6.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -48.616867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.616867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.616867 (E_RNA) where: Base-Base interactions energy: -20.753 where: short stacking energy: -18.938 Base-Backbone interact. energy: -0.034 local terms energy: -27.830004 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -0.581 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -42.842699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.842699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.842699 (E_RNA) where: Base-Base interactions energy: -15.757 where: short stacking energy: -11.437 Base-Backbone interact. energy: -0.011 local terms energy: -27.075411 where: bonds (distance) C4'-P energy: -7.050 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -5.388 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: 9, replica: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -42.358162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.358162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.358162 (E_RNA) where: Base-Base interactions energy: -17.330 where: short stacking energy: -17.330 Base-Backbone interact. energy: -0.086 local terms energy: -24.941684 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -5.396 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -0.845 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: 411 Temperature: 1.350000 Total energy: -44.767139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.767139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.767139 (E_RNA) where: Base-Base interactions energy: -16.039 where: short stacking energy: -14.229 Base-Backbone interact. energy: -0.007 local terms energy: -28.720596 where: bonds (distance) C4'-P energy: -5.855 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -3.080 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: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -66.805122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.805122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.805122 (E_RNA) where: Base-Base interactions energy: -33.327 where: short stacking energy: -25.058 Base-Backbone interact. energy: -0.000 local terms energy: -33.478211 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -6.348 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: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -65.830467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.830467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.830467 (E_RNA) where: Base-Base interactions energy: -29.873 where: short stacking energy: -23.227 Base-Backbone interact. energy: -0.000 local terms energy: -35.956682 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -5.053 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: 3, replica: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -65.769655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.769655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.769655 (E_RNA) where: Base-Base interactions energy: -30.018 where: short stacking energy: -21.471 Base-Backbone interact. energy: -0.006 local terms energy: -35.744768 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -7.421 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: 4, replica: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -50.582666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.582666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.582666 (E_RNA) where: Base-Base interactions energy: -16.326 where: short stacking energy: -15.135 Base-Backbone interact. energy: -0.081 local terms energy: -34.175706 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -6.720 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: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -56.958472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.958472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.958472 (E_RNA) where: Base-Base interactions energy: -21.265 where: short stacking energy: -19.883 Base-Backbone interact. energy: -0.000 local terms energy: -35.693896 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -4.906 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: 6, replica: 6 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -60.817017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.817017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.817017 (E_RNA) where: Base-Base interactions energy: -31.469 where: short stacking energy: -29.426 Base-Backbone interact. energy: 0.838 local terms energy: -30.186064 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -6.490 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -52.566574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.566574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.566574 (E_RNA) where: Base-Base interactions energy: -27.824 where: short stacking energy: -26.518 Base-Backbone interact. energy: -0.058 local terms energy: -24.684938 where: bonds (distance) C4'-P energy: -2.806 bonds (distance) P-C4' energy: -5.900 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -6.260 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: 8, replica: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -42.898462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.898462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.898462 (E_RNA) where: Base-Base interactions energy: -11.733 where: short stacking energy: -11.733 Base-Backbone interact. energy: -0.671 local terms energy: -30.493731 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -52.681414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.681414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.681414 (E_RNA) where: Base-Base interactions energy: -19.237 where: short stacking energy: -19.237 Base-Backbone interact. energy: -0.001 local terms energy: -33.442840 where: bonds (distance) C4'-P energy: -5.800 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -49.176645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.176645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.176645 (E_RNA) where: Base-Base interactions energy: -15.155 where: short stacking energy: -15.155 Base-Backbone interact. energy: -0.000 local terms energy: -34.020956 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -6.374 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: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -72.267664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.267664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.267664 (E_RNA) where: Base-Base interactions energy: -33.564 where: short stacking energy: -28.787 Base-Backbone interact. energy: -0.001 local terms energy: -38.702498 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -9.609 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: 2, replica: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -67.962209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.962209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.962209 (E_RNA) where: Base-Base interactions energy: -37.248 where: short stacking energy: -24.107 Base-Backbone interact. energy: -0.096 local terms energy: -30.618136 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.495 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: 3, replica: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -69.110880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.110880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.110880 (E_RNA) where: Base-Base interactions energy: -29.130 where: short stacking energy: -25.499 Base-Backbone interact. energy: -0.001 local terms energy: -39.979919 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: -8.447 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: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -56.783048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.783048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.783048 (E_RNA) where: Base-Base interactions energy: -22.806 where: short stacking energy: -17.476 Base-Backbone interact. energy: -0.002 local terms energy: -33.974912 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -4.570 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: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -58.073573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.073573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.073573 (E_RNA) where: Base-Base interactions energy: -24.829 where: short stacking energy: -21.019 Base-Backbone interact. energy: -0.004 local terms energy: -33.240588 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -5.728 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -6.926 tors. eta vs tors. theta energy: -5.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -49.593916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.593916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.593916 (E_RNA) where: Base-Base interactions energy: -19.857 where: short stacking energy: -19.857 Base-Backbone interact. energy: -0.003 local terms energy: -29.733244 where: bonds (distance) C4'-P energy: -5.749 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -4.644 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: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -50.696124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.696124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.696124 (E_RNA) where: Base-Base interactions energy: -16.590 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.003 local terms energy: -34.102576 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -41.205539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.205539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.205539 (E_RNA) where: Base-Base interactions energy: -16.700 where: short stacking energy: -16.700 Base-Backbone interact. energy: -0.006 local terms energy: -24.499451 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -0.688 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -43.848486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.848486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.848486 (E_RNA) where: Base-Base interactions energy: -12.512 where: short stacking energy: -12.512 Base-Backbone interact. energy: -0.000 local terms energy: -31.336289 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -42.165621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.165621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.165621 (E_RNA) where: Base-Base interactions energy: -15.174 where: short stacking energy: -10.677 Base-Backbone interact. energy: -0.006 local terms energy: -26.985335 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -5.399 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: 1, replica: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -74.752586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.752586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.752586 (E_RNA) where: Base-Base interactions energy: -39.673 where: short stacking energy: -31.710 Base-Backbone interact. energy: -0.000 local terms energy: -35.079762 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -3.111 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: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -56.209614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.209614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.209614 (E_RNA) where: Base-Base interactions energy: -24.427 where: short stacking energy: -20.417 Base-Backbone interact. energy: -0.100 local terms energy: -31.683478 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -9.458 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -1.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -68.330275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.330275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.330275 (E_RNA) where: Base-Base interactions energy: -33.209 where: short stacking energy: -31.145 Base-Backbone interact. energy: -0.003 local terms energy: -35.118949 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -4.064 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: 4, replica: 8 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -58.085382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.085382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.085382 (E_RNA) where: Base-Base interactions energy: -28.947 where: short stacking energy: -28.947 Base-Backbone interact. energy: -0.001 local terms energy: -29.137612 where: bonds (distance) C4'-P energy: -4.794 bonds (distance) P-C4' energy: -4.269 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -7.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -48.936726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.936726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.936726 (E_RNA) where: Base-Base interactions energy: -18.476 where: short stacking energy: -18.476 Base-Backbone interact. energy: -0.001 local terms energy: -30.458781 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -6.532 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: 6, replica: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -53.305909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.305909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.305909 (E_RNA) where: Base-Base interactions energy: -24.352 where: short stacking energy: -24.352 Base-Backbone interact. energy: -0.000 local terms energy: -28.954289 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -4.107 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -5.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -46.795474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.795474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.795474 (E_RNA) where: Base-Base interactions energy: -16.792 where: short stacking energy: -16.155 Base-Backbone interact. energy: -0.022 local terms energy: -29.981891 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -5.506 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: 8, replica: 6 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -44.627499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.627499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.627499 (E_RNA) where: Base-Base interactions energy: -21.792 where: short stacking energy: -16.690 Base-Backbone interact. energy: -0.131 local terms energy: -22.704365 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -52.811071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.811071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.811071 (E_RNA) where: Base-Base interactions energy: -24.917 where: short stacking energy: -17.537 Base-Backbone interact. energy: -0.099 local terms energy: -27.795481 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -3.399 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: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -39.275978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.275978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.275978 (E_RNA) where: Base-Base interactions energy: -11.713 where: short stacking energy: -11.713 Base-Backbone interact. energy: -0.107 local terms energy: -27.456314 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -4.868 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: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -76.747231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.747231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.747231 (E_RNA) where: Base-Base interactions energy: -36.246 where: short stacking energy: -30.426 Base-Backbone interact. energy: -0.000 local terms energy: -40.500896 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -8.087 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: 1 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -67.116599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.116599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.116599 (E_RNA) where: Base-Base interactions energy: -30.266 where: short stacking energy: -30.266 Base-Backbone interact. energy: -0.000 local terms energy: -36.850314 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -9.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -57.563376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.563376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.563376 (E_RNA) where: Base-Base interactions energy: -24.693 where: short stacking energy: -24.693 Base-Backbone interact. energy: -0.001 local terms energy: -32.869341 where: bonds (distance) C4'-P energy: -6.615 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -7.550 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: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -56.123829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.123829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.123829 (E_RNA) where: Base-Base interactions energy: -18.814 where: short stacking energy: -18.814 Base-Backbone interact. energy: -0.003 local terms energy: -37.306457 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -6.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -54.291139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.291139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.291139 (E_RNA) where: Base-Base interactions energy: -21.311 where: short stacking energy: -21.311 Base-Backbone interact. energy: -0.000 local terms energy: -32.980196 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -5.043 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: 6, replica: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -49.975449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.975449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.975449 (E_RNA) where: Base-Base interactions energy: -20.552 where: short stacking energy: -15.971 Base-Backbone interact. energy: -0.015 local terms energy: -29.408645 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.001 flat angles C4'-P-C4' energy: -8.471 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -51.838096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.838096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.838096 (E_RNA) where: Base-Base interactions energy: -20.267 where: short stacking energy: -18.721 Base-Backbone interact. energy: 0.546 local terms energy: -32.116553 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -46.761667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.761667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.761667 (E_RNA) where: Base-Base interactions energy: -18.627 where: short stacking energy: -16.181 Base-Backbone interact. energy: -0.729 local terms energy: -27.405648 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -9.345 flat angles P-C4'-P energy: -0.335 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -53.378091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.378091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.378091 (E_RNA) where: Base-Base interactions energy: -21.800 where: short stacking energy: -21.800 Base-Backbone interact. energy: -0.000 local terms energy: -31.578161 where: bonds (distance) C4'-P energy: -4.048 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -3.704 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: 10, replica: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -41.576430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.576430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.576430 (E_RNA) where: Base-Base interactions energy: -21.105 where: short stacking energy: -20.432 Base-Backbone interact. energy: -1.396 local terms energy: -19.076064 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -2.835 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -4.693 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: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -63.494939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.494939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.494939 (E_RNA) where: Base-Base interactions energy: -24.602 where: short stacking energy: -24.602 Base-Backbone interact. energy: -0.000 local terms energy: -38.893189 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -7.072 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: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -54.631000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.631000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.631000 (E_RNA) where: Base-Base interactions energy: -24.544 where: short stacking energy: -24.544 Base-Backbone interact. energy: -0.000 local terms energy: -30.086879 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -0.888 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -57.404142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.404142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.404142 (E_RNA) where: Base-Base interactions energy: -27.856 where: short stacking energy: -21.679 Base-Backbone interact. energy: -0.030 local terms energy: -29.517474 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -5.365 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: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -59.339916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.339916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.339916 (E_RNA) where: Base-Base interactions energy: -28.761 where: short stacking energy: -28.761 Base-Backbone interact. energy: -0.009 local terms energy: -30.570019 where: bonds (distance) C4'-P energy: -3.631 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -9.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -61.200342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.200342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.200342 (E_RNA) where: Base-Base interactions energy: -23.309 where: short stacking energy: -23.309 Base-Backbone interact. energy: -0.002 local terms energy: -37.889650 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -7.246 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: 6, replica: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -53.080806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.080806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.080806 (E_RNA) where: Base-Base interactions energy: -28.336 where: short stacking energy: -23.007 Base-Backbone interact. energy: -0.002 local terms energy: -24.743068 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.951 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) ================================== temp. level: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -55.345332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.345332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.345332 (E_RNA) where: Base-Base interactions energy: -23.234 where: short stacking energy: -11.288 Base-Backbone interact. energy: -0.625 local terms energy: -31.486400 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -49.384953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.384953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.384953 (E_RNA) where: Base-Base interactions energy: -21.859 where: short stacking energy: -21.859 Base-Backbone interact. energy: -0.000 local terms energy: -27.525508 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -6.821 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -1.260 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: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -42.109685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.109685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.109685 (E_RNA) where: Base-Base interactions energy: -10.435 where: short stacking energy: -9.675 Base-Backbone interact. energy: -0.048 local terms energy: -31.626926 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -3.384 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: 10, replica: 6 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -45.905981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.905981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.905981 (E_RNA) where: Base-Base interactions energy: -19.206 where: short stacking energy: -19.206 Base-Backbone interact. energy: -0.018 local terms energy: -26.682094 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -73.350729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.350729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.350729 (E_RNA) where: Base-Base interactions energy: -31.869 where: short stacking energy: -31.869 Base-Backbone interact. energy: -0.000 local terms energy: -41.481364 where: bonds (distance) C4'-P energy: -7.803 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.592 flat angles P-C4'-P energy: -6.147 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: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -58.465770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.465770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.465770 (E_RNA) where: Base-Base interactions energy: -21.763 where: short stacking energy: -21.763 Base-Backbone interact. energy: -0.002 local terms energy: -36.701546 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -8.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -64.831407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.831407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.831407 (E_RNA) where: Base-Base interactions energy: -33.661 where: short stacking energy: -20.046 Base-Backbone interact. energy: 0.317 local terms energy: -31.487504 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -52.840260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.840260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.840260 (E_RNA) where: Base-Base interactions energy: -19.522 where: short stacking energy: -19.522 Base-Backbone interact. energy: -0.050 local terms energy: -33.268772 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -4.669 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: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -54.599314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.599314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.599314 (E_RNA) where: Base-Base interactions energy: -26.705 where: short stacking energy: -24.203 Base-Backbone interact. energy: -1.177 local terms energy: -26.717541 where: bonds (distance) C4'-P energy: -7.219 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -46.965923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.965923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.965923 (E_RNA) where: Base-Base interactions energy: -19.834 where: short stacking energy: -16.523 Base-Backbone interact. energy: -0.001 local terms energy: -27.130712 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.182 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -47.487207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.487207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.487207 (E_RNA) where: Base-Base interactions energy: -16.494 where: short stacking energy: -16.494 Base-Backbone interact. energy: -0.084 local terms energy: -30.908842 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -47.858490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.858490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.858490 (E_RNA) where: Base-Base interactions energy: -17.923 where: short stacking energy: -17.923 Base-Backbone interact. energy: -0.083 local terms energy: -29.852243 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -40.503921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.503921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.503921 (E_RNA) where: Base-Base interactions energy: -14.036 where: short stacking energy: -14.036 Base-Backbone interact. energy: -0.079 local terms energy: -26.388658 where: bonds (distance) C4'-P energy: -4.926 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -39.411544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.411544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.411544 (E_RNA) where: Base-Base interactions energy: -13.950 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.138 local terms energy: -25.322978 where: bonds (distance) C4'-P energy: -6.121 bonds (distance) P-C4' energy: -7.095 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: 0.305 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: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -79.394852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.394852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.394852 (E_RNA) where: Base-Base interactions energy: -48.005 where: short stacking energy: -19.120 Base-Backbone interact. energy: -0.062 local terms energy: -31.327876 where: bonds (distance) C4'-P energy: -3.560 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -5.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -60.360208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.360208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.360208 (E_RNA) where: Base-Base interactions energy: -29.350 where: short stacking energy: -22.401 Base-Backbone interact. energy: -0.003 local terms energy: -31.006581 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -8.788 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -5.559 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: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -52.478849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.478849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.478849 (E_RNA) where: Base-Base interactions energy: -21.092 where: short stacking energy: -21.092 Base-Backbone interact. energy: -0.097 local terms energy: -31.290098 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -2.981 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: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -52.238802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.238802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.238802 (E_RNA) where: Base-Base interactions energy: -18.672 where: short stacking energy: -18.672 Base-Backbone interact. energy: -0.000 local terms energy: -33.567048 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -6.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -51.288925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.288925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.288925 (E_RNA) where: Base-Base interactions energy: -22.988 where: short stacking energy: -21.066 Base-Backbone interact. energy: -0.083 local terms energy: -28.218542 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -5.222 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: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -54.148312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.148312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.148312 (E_RNA) where: Base-Base interactions energy: -21.179 where: short stacking energy: -21.179 Base-Backbone interact. energy: -0.092 local terms energy: -32.877993 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -5.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -55.410465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.410465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.410465 (E_RNA) where: Base-Base interactions energy: -25.770 where: short stacking energy: -13.031 Base-Backbone interact. energy: 0.275 local terms energy: -29.915951 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -45.290863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.290863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.290863 (E_RNA) where: Base-Base interactions energy: -17.169 where: short stacking energy: -17.169 Base-Backbone interact. energy: 1.537 local terms energy: -29.658686 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.395 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -2.690 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: 9, replica: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -40.064882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.064882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.064882 (E_RNA) where: Base-Base interactions energy: -14.709 where: short stacking energy: -14.709 Base-Backbone interact. energy: -0.005 local terms energy: -25.350960 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -1.908 tors. eta vs tors. theta energy: -3.463 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: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -46.358273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.358273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.358273 (E_RNA) where: Base-Base interactions energy: -14.083 where: short stacking energy: -14.083 Base-Backbone interact. energy: 1.063 local terms energy: -33.338676 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -6.675 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -78.195763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.195763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.195763 (E_RNA) where: Base-Base interactions energy: -39.835 where: short stacking energy: -24.018 Base-Backbone interact. energy: -0.032 local terms energy: -38.328363 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -8.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -65.494532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.494532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.494532 (E_RNA) where: Base-Base interactions energy: -25.395 where: short stacking energy: -25.124 Base-Backbone interact. energy: -0.042 local terms energy: -40.057771 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.295 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -8.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -60.184140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.184140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.184140 (E_RNA) where: Base-Base interactions energy: -24.821 where: short stacking energy: -20.279 Base-Backbone interact. energy: -0.000 local terms energy: -35.362406 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.746 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -52.835627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.835627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.835627 (E_RNA) where: Base-Base interactions energy: -19.971 where: short stacking energy: -14.111 Base-Backbone interact. energy: -0.001 local terms energy: -32.863440 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -3.343 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: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -56.562656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.562656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.562656 (E_RNA) where: Base-Base interactions energy: -24.243 where: short stacking energy: -20.233 Base-Backbone interact. energy: -0.069 local terms energy: -32.250665 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -61.453857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.453857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.453857 (E_RNA) where: Base-Base interactions energy: -30.360 where: short stacking energy: -22.633 Base-Backbone interact. energy: -0.057 local terms energy: -31.036775 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -5.943 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -7.562 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: 419 Temperature: 1.200000 Total energy: -50.204689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.204689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.204689 (E_RNA) where: Base-Base interactions energy: -25.142 where: short stacking energy: -16.212 Base-Backbone interact. energy: 0.292 local terms energy: -25.354199 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -40.729584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.729584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.729584 (E_RNA) where: Base-Base interactions energy: -15.486 where: short stacking energy: -12.650 Base-Backbone interact. energy: -0.542 local terms energy: -24.701226 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -3.359 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -57.529983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.529983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.529983 (E_RNA) where: Base-Base interactions energy: -27.877 where: short stacking energy: -27.118 Base-Backbone interact. energy: -0.356 local terms energy: -29.297276 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -7.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -47.709411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.709411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.709411 (E_RNA) where: Base-Base interactions energy: -16.379 where: short stacking energy: -16.379 Base-Backbone interact. energy: -0.019 local terms energy: -31.310992 where: bonds (distance) C4'-P energy: -6.445 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -61.335565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.335565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.335565 (E_RNA) where: Base-Base interactions energy: -26.041 where: short stacking energy: -26.041 Base-Backbone interact. energy: -0.000 local terms energy: -35.294967 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -6.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -58.649760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.649760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.649760 (E_RNA) where: Base-Base interactions energy: -21.565 where: short stacking energy: -21.565 Base-Backbone interact. energy: -0.077 local terms energy: -37.008070 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -5.824 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: 3, replica: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -57.279744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.279744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.279744 (E_RNA) where: Base-Base interactions energy: -22.172 where: short stacking energy: -22.172 Base-Backbone interact. energy: -0.085 local terms energy: -35.022144 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -7.779 tors. eta vs tors. theta energy: -6.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -58.500979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.500979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.500979 (E_RNA) where: Base-Base interactions energy: -25.244 where: short stacking energy: -25.244 Base-Backbone interact. energy: -0.732 local terms energy: -32.524084 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -6.406 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: 5, replica: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -45.615471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.615471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.615471 (E_RNA) where: Base-Base interactions energy: -20.947 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.290 local terms energy: -24.378232 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -6.121 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -50.208761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.208761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.208761 (E_RNA) where: Base-Base interactions energy: -20.474 where: short stacking energy: -13.026 Base-Backbone interact. energy: -0.002 local terms energy: -29.732842 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -48.928170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.928170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.928170 (E_RNA) where: Base-Base interactions energy: -26.833 where: short stacking energy: -18.884 Base-Backbone interact. energy: -0.030 local terms energy: -22.065356 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -1.137 tors. eta vs tors. theta energy: -1.907 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: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -40.713701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.713701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.713701 (E_RNA) where: Base-Base interactions energy: -16.134 where: short stacking energy: -16.125 Base-Backbone interact. energy: 0.444 local terms energy: -25.023412 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -0.671 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: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -47.284333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.284333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.284333 (E_RNA) where: Base-Base interactions energy: -14.687 where: short stacking energy: -13.490 Base-Backbone interact. energy: -0.005 local terms energy: -32.592113 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -47.391239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.391239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.391239 (E_RNA) where: Base-Base interactions energy: -17.080 where: short stacking energy: -17.080 Base-Backbone interact. energy: -0.000 local terms energy: -30.310481 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -3.836 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: 1, replica: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -61.258180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.258180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.258180 (E_RNA) where: Base-Base interactions energy: -31.268 where: short stacking energy: -14.509 Base-Backbone interact. energy: 1.598 local terms energy: -31.588221 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -7.024 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: 2, replica: 1 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -58.963706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.963706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.963706 (E_RNA) where: Base-Base interactions energy: -24.966 where: short stacking energy: -24.966 Base-Backbone interact. energy: -0.036 local terms energy: -33.961787 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -63.490750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.490750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.490750 (E_RNA) where: Base-Base interactions energy: -29.545 where: short stacking energy: -24.490 Base-Backbone interact. energy: -0.000 local terms energy: -33.945169 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -6.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -47.699217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.699217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.699217 (E_RNA) where: Base-Base interactions energy: -21.268 where: short stacking energy: -21.268 Base-Backbone interact. energy: -0.100 local terms energy: -26.331043 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.624 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -54.286800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.286800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.286800 (E_RNA) where: Base-Base interactions energy: -19.396 where: short stacking energy: -19.396 Base-Backbone interact. energy: -0.021 local terms energy: -34.869619 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -55.953508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.953508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.953508 (E_RNA) where: Base-Base interactions energy: -26.705 where: short stacking energy: -17.014 Base-Backbone interact. energy: 0.486 local terms energy: -29.734082 where: bonds (distance) C4'-P energy: -5.664 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -51.655543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.655543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.655543 (E_RNA) where: Base-Base interactions energy: -22.012 where: short stacking energy: -16.654 Base-Backbone interact. energy: -0.020 local terms energy: -29.623601 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -3.984 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: 8, replica: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -50.291826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.291826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.291826 (E_RNA) where: Base-Base interactions energy: -22.036 where: short stacking energy: -22.036 Base-Backbone interact. energy: -0.000 local terms energy: -28.255048 where: bonds (distance) C4'-P energy: -3.617 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -5.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -47.667259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.667259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.667259 (E_RNA) where: Base-Base interactions energy: -21.480 where: short stacking energy: -21.480 Base-Backbone interact. energy: -0.000 local terms energy: -26.187271 where: bonds (distance) C4'-P energy: -5.217 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -5.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -40.571434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.571434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.571434 (E_RNA) where: Base-Base interactions energy: -15.332 where: short stacking energy: -15.332 Base-Backbone interact. energy: -0.201 local terms energy: -25.038017 where: bonds (distance) C4'-P energy: -1.320 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -7.172 tors. eta vs tors. theta energy: -4.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -61.105005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.105005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.105005 (E_RNA) where: Base-Base interactions energy: -25.233 where: short stacking energy: -18.804 Base-Backbone interact. energy: -0.096 local terms energy: -35.775930 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -9.138 flat angles P-C4'-P energy: -4.556 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: 2, replica: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -58.687292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.687292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.687292 (E_RNA) where: Base-Base interactions energy: -19.371 where: short stacking energy: -19.371 Base-Backbone interact. energy: -0.024 local terms energy: -39.292795 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -9.303 flat angles P-C4'-P energy: -6.881 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: 3, replica: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -58.244220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.244220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.244220 (E_RNA) where: Base-Base interactions energy: -25.071 where: short stacking energy: -25.071 Base-Backbone interact. energy: -0.000 local terms energy: -33.172860 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.809 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -62.917491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.917491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.917491 (E_RNA) where: Base-Base interactions energy: -32.408 where: short stacking energy: -23.584 Base-Backbone interact. energy: -0.018 local terms energy: -30.491077 where: bonds (distance) C4'-P energy: -2.911 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.023 flat angles P-C4'-P energy: -4.926 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: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -56.903199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.903199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.903199 (E_RNA) where: Base-Base interactions energy: -29.070 where: short stacking energy: -17.899 Base-Backbone interact. energy: -0.003 local terms energy: -27.830459 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -1.283 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -46.786249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.786249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.786249 (E_RNA) where: Base-Base interactions energy: -16.308 where: short stacking energy: -16.308 Base-Backbone interact. energy: -0.075 local terms energy: -30.402811 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -4.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -47.793658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.793658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.793658 (E_RNA) where: Base-Base interactions energy: -16.356 where: short stacking energy: -13.427 Base-Backbone interact. energy: -0.197 local terms energy: -31.240562 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -2.571 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: 10 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -44.886107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.886107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.886107 (E_RNA) where: Base-Base interactions energy: -16.766 where: short stacking energy: -14.421 Base-Backbone interact. energy: -0.078 local terms energy: -28.042545 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -40.313512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.313512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.313512 (E_RNA) where: Base-Base interactions energy: -18.069 where: short stacking energy: -18.069 Base-Backbone interact. energy: -0.095 local terms energy: -22.149407 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -45.796041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.796041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.796041 (E_RNA) where: Base-Base interactions energy: -20.036 where: short stacking energy: -16.303 Base-Backbone interact. energy: -0.008 local terms energy: -25.751519 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -71.947730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.947730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.947730 (E_RNA) where: Base-Base interactions energy: -34.334 where: short stacking energy: -27.120 Base-Backbone interact. energy: -0.031 local terms energy: -37.583296 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -7.610 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -64.453740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.453740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.453740 (E_RNA) where: Base-Base interactions energy: -27.642 where: short stacking energy: -22.462 Base-Backbone interact. energy: -0.061 local terms energy: -36.751083 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -65.432820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.432820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.432820 (E_RNA) where: Base-Base interactions energy: -28.639 where: short stacking energy: -28.639 Base-Backbone interact. energy: -0.017 local terms energy: -36.776645 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -6.164 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: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -48.544885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.544885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.544885 (E_RNA) where: Base-Base interactions energy: -18.977 where: short stacking energy: -10.576 Base-Backbone interact. energy: -0.066 local terms energy: -29.502406 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -60.137738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.137738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.137738 (E_RNA) where: Base-Base interactions energy: -32.062 where: short stacking energy: -30.782 Base-Backbone interact. energy: -0.012 local terms energy: -28.063114 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -6.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -54.897489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.897489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.897489 (E_RNA) where: Base-Base interactions energy: -24.357 where: short stacking energy: -24.357 Base-Backbone interact. energy: -0.005 local terms energy: -30.535416 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -6.587 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -4.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -57.845486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.845486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.845486 (E_RNA) where: Base-Base interactions energy: -23.139 where: short stacking energy: -23.139 Base-Backbone interact. energy: -0.002 local terms energy: -34.704669 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -44.026264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.026264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.026264 (E_RNA) where: Base-Base interactions energy: -13.778 where: short stacking energy: -8.943 Base-Backbone interact. energy: -0.076 local terms energy: -30.172313 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: 1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -45.378359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.378359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.378359 (E_RNA) where: Base-Base interactions energy: -19.206 where: short stacking energy: -18.139 Base-Backbone interact. energy: -0.001 local terms energy: -26.171656 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -0.722 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: 10, replica: 6 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -37.943257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.943257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.943257 (E_RNA) where: Base-Base interactions energy: -11.670 where: short stacking energy: -11.670 Base-Backbone interact. energy: -0.083 local terms energy: -26.191032 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -71.917295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.917295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.917295 (E_RNA) where: Base-Base interactions energy: -39.000 where: short stacking energy: -29.412 Base-Backbone interact. energy: -0.001 local terms energy: -32.916073 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -6.775 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -66.146796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.146796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.146796 (E_RNA) where: Base-Base interactions energy: -30.154 where: short stacking energy: -30.154 Base-Backbone interact. energy: -0.000 local terms energy: -35.993208 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -5.485 flat angles C4'-P-C4' energy: -9.262 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -7.853 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: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -65.399722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.399722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.399722 (E_RNA) where: Base-Base interactions energy: -29.105 where: short stacking energy: -29.105 Base-Backbone interact. energy: -0.010 local terms energy: -36.285122 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -6.185 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: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -54.575836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.575836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.575836 (E_RNA) where: Base-Base interactions energy: -23.458 where: short stacking energy: -23.458 Base-Backbone interact. energy: -0.044 local terms energy: -31.074465 where: bonds (distance) C4'-P energy: -6.051 bonds (distance) P-C4' energy: -6.179 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -6.060 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: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -51.654908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.654908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.654908 (E_RNA) where: Base-Base interactions energy: -20.408 where: short stacking energy: -20.408 Base-Backbone interact. energy: -0.001 local terms energy: -31.246130 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -55.203699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.203699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.203699 (E_RNA) where: Base-Base interactions energy: -24.073 where: short stacking energy: -23.748 Base-Backbone interact. energy: -0.000 local terms energy: -31.130816 where: bonds (distance) C4'-P energy: -6.329 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -3.792 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: 7, replica: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -53.027525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.027525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.027525 (E_RNA) where: Base-Base interactions energy: -20.628 where: short stacking energy: -20.628 Base-Backbone interact. energy: -0.003 local terms energy: -32.396264 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -4.792 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: 8, replica: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -42.571357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.571357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.571357 (E_RNA) where: Base-Base interactions energy: -11.014 where: short stacking energy: -9.750 Base-Backbone interact. energy: -0.593 local terms energy: -30.965095 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -6.693 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: 9, replica: 6 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -48.119059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.119059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.119059 (E_RNA) where: Base-Base interactions energy: -20.152 where: short stacking energy: -15.836 Base-Backbone interact. energy: -0.002 local terms energy: -27.964692 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -39.854639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.854639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.854639 (E_RNA) where: Base-Base interactions energy: -16.100 where: short stacking energy: -3.100 Base-Backbone interact. energy: -0.249 local terms energy: -23.505586 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -6.733 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: 1, replica: 9 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -74.285214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.285214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.285214 (E_RNA) where: Base-Base interactions energy: -37.938 where: short stacking energy: -28.616 Base-Backbone interact. energy: -0.000 local terms energy: -36.347309 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -7.194 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: 3 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -61.528090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.528090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.528090 (E_RNA) where: Base-Base interactions energy: -27.675 where: short stacking energy: -27.675 Base-Backbone interact. energy: -0.000 local terms energy: -33.853262 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -3.356 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: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -60.241263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.241263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.241263 (E_RNA) where: Base-Base interactions energy: -28.359 where: short stacking energy: -25.709 Base-Backbone interact. energy: -0.001 local terms energy: -31.880686 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: 0.598 tors. eta vs tors. theta energy: -9.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -60.420215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.420215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.420215 (E_RNA) where: Base-Base interactions energy: -24.515 where: short stacking energy: -24.515 Base-Backbone interact. energy: -0.001 local terms energy: -35.904600 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -7.069 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: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -50.703006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.703006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.703006 (E_RNA) where: Base-Base interactions energy: -17.209 where: short stacking energy: -17.209 Base-Backbone interact. energy: -0.372 local terms energy: -33.121662 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -4.989 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: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -51.569139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.569139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.569139 (E_RNA) where: Base-Base interactions energy: -21.909 where: short stacking energy: -21.909 Base-Backbone interact. energy: -0.001 local terms energy: -29.659547 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -8.936 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -49.642041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.642041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.642041 (E_RNA) where: Base-Base interactions energy: -18.218 where: short stacking energy: -18.218 Base-Backbone interact. energy: -0.050 local terms energy: -31.373703 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -51.353625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.353625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.353625 (E_RNA) where: Base-Base interactions energy: -28.616 where: short stacking energy: -13.740 Base-Backbone interact. energy: -0.108 local terms energy: -22.629980 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -1.733 flat angles P-C4'-P energy: -6.123 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: 9, replica: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -39.171896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.171896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.171896 (E_RNA) where: Base-Base interactions energy: -14.615 where: short stacking energy: -14.615 Base-Backbone interact. energy: -0.006 local terms energy: -24.551303 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -1.893 tors. eta vs tors. theta energy: -0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -40.868711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.868711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.868711 (E_RNA) where: Base-Base interactions energy: -13.076 where: short stacking energy: -3.555 Base-Backbone interact. energy: -0.253 local terms energy: -27.539890 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -4.749 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: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -73.161765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.161765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.161765 (E_RNA) where: Base-Base interactions energy: -32.543 where: short stacking energy: -32.543 Base-Backbone interact. energy: -0.000 local terms energy: -40.618742 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -6.794 flat angles C4'-P-C4' energy: -9.271 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -9.966 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: 9 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -66.774465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.774465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.774465 (E_RNA) where: Base-Base interactions energy: -33.449 where: short stacking energy: -26.639 Base-Backbone interact. energy: -0.000 local terms energy: -33.325056 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -4.660 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: 3, replica: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -59.658378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.658378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.658378 (E_RNA) where: Base-Base interactions energy: -21.132 where: short stacking energy: -21.132 Base-Backbone interact. energy: -0.002 local terms energy: -38.523838 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -7.384 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -50.151437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.151437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.151437 (E_RNA) where: Base-Base interactions energy: -21.295 where: short stacking energy: -21.295 Base-Backbone interact. energy: -0.027 local terms energy: -28.829513 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -4.082 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: 5, replica: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -52.458367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.458367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.458367 (E_RNA) where: Base-Base interactions energy: -21.197 where: short stacking energy: -21.197 Base-Backbone interact. energy: -0.000 local terms energy: -31.261047 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -4.907 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: 6, replica: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -52.998826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.998826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.998826 (E_RNA) where: Base-Base interactions energy: -20.611 where: short stacking energy: -19.453 Base-Backbone interact. energy: -0.027 local terms energy: -32.361768 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -6.620 tors. eta vs tors. theta energy: -4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -42.406294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.406294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.406294 (E_RNA) where: Base-Base interactions energy: -13.800 where: short stacking energy: -13.800 Base-Backbone interact. energy: -0.004 local terms energy: -28.602244 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -5.139 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -6.039 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: 5 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -38.939821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.939821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.939821 (E_RNA) where: Base-Base interactions energy: -12.847 where: short stacking energy: -7.018 Base-Backbone interact. energy: -0.520 local terms energy: -25.572896 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.157 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: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -39.482627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.482627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.482627 (E_RNA) where: Base-Base interactions energy: -13.254 where: short stacking energy: -12.459 Base-Backbone interact. energy: -0.074 local terms energy: -26.154420 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -2.772 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: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -37.142365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.142365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.142365 (E_RNA) where: Base-Base interactions energy: -13.507 where: short stacking energy: -13.507 Base-Backbone interact. energy: -0.008 local terms energy: -23.627980 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: 1.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -64.175156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.175156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.175156 (E_RNA) where: Base-Base interactions energy: -28.942 where: short stacking energy: -24.848 Base-Backbone interact. energy: -0.004 local terms energy: -35.228440 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -7.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -64.106930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.106930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.106930 (E_RNA) where: Base-Base interactions energy: -25.540 where: short stacking energy: -23.461 Base-Backbone interact. energy: -0.872 local terms energy: -37.694253 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -6.467 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: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -52.105872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.105872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.105872 (E_RNA) where: Base-Base interactions energy: -23.951 where: short stacking energy: -23.951 Base-Backbone interact. energy: -0.005 local terms energy: -28.150082 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -68.450243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.450243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.450243 (E_RNA) where: Base-Base interactions energy: -33.542 where: short stacking energy: -33.542 Base-Backbone interact. energy: -0.000 local terms energy: -34.908214 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -10.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -47.289424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.289424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.289424 (E_RNA) where: Base-Base interactions energy: -18.618 where: short stacking energy: -18.618 Base-Backbone interact. energy: -0.012 local terms energy: -28.659612 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: 0.034 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: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -48.124913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.124913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.124913 (E_RNA) where: Base-Base interactions energy: -21.155 where: short stacking energy: -21.155 Base-Backbone interact. energy: -0.001 local terms energy: -26.969412 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.641 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -47.930060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.930060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.930060 (E_RNA) where: Base-Base interactions energy: -23.931 where: short stacking energy: -13.311 Base-Backbone interact. energy: -0.035 local terms energy: -23.964188 where: bonds (distance) C4'-P energy: -5.943 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -46.582377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.582377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.582377 (E_RNA) where: Base-Base interactions energy: -19.506 where: short stacking energy: -19.375 Base-Backbone interact. energy: -0.000 local terms energy: -27.076733 where: bonds (distance) C4'-P energy: -5.375 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -43.087826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.087826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.087826 (E_RNA) where: Base-Base interactions energy: -15.769 where: short stacking energy: -13.519 Base-Backbone interact. energy: -0.071 local terms energy: -27.248055 where: bonds (distance) C4'-P energy: -5.045 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -8.591 flat angles P-C4'-P energy: -4.013 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: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -37.408788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.408788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.408788 (E_RNA) where: Base-Base interactions energy: -15.137 where: short stacking energy: -12.152 Base-Backbone interact. energy: 0.148 local terms energy: -22.420282 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: 0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -76.720685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.720685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.720685 (E_RNA) where: Base-Base interactions energy: -38.949 where: short stacking energy: -25.414 Base-Backbone interact. energy: -0.002 local terms energy: -37.770295 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -7.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -59.786078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.786078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.786078 (E_RNA) where: Base-Base interactions energy: -24.010 where: short stacking energy: -24.010 Base-Backbone interact. energy: -0.005 local terms energy: -35.771592 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -60.494013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.494013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.494013 (E_RNA) where: Base-Base interactions energy: -28.871 where: short stacking energy: -12.086 Base-Backbone interact. energy: -0.179 local terms energy: -31.443882 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -3.262 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: 4, replica: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -60.359037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.359037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.359037 (E_RNA) where: Base-Base interactions energy: -30.056 where: short stacking energy: -30.056 Base-Backbone interact. energy: -0.008 local terms energy: -30.294931 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -3.269 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: 5, replica: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -55.633079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.633079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.633079 (E_RNA) where: Base-Base interactions energy: -25.657 where: short stacking energy: -15.064 Base-Backbone interact. energy: -0.010 local terms energy: -29.965941 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -4.461 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: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -46.788967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.788967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.788967 (E_RNA) where: Base-Base interactions energy: -13.206 where: short stacking energy: -13.057 Base-Backbone interact. energy: -0.255 local terms energy: -33.328110 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -45.308290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.308290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.308290 (E_RNA) where: Base-Base interactions energy: -11.662 where: short stacking energy: -10.421 Base-Backbone interact. energy: -0.780 local terms energy: -32.866227 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -5.767 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: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -47.621315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.621315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.621315 (E_RNA) where: Base-Base interactions energy: -19.845 where: short stacking energy: -12.385 Base-Backbone interact. energy: -0.026 local terms energy: -27.751024 where: bonds (distance) C4'-P energy: -6.644 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -5.809 tors. eta vs tors. theta energy: 1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -50.085582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.085582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.085582 (E_RNA) where: Base-Base interactions energy: -19.246 where: short stacking energy: -19.246 Base-Backbone interact. energy: -0.100 local terms energy: -30.739580 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -3.338 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: 10, replica: 5 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -46.281335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.281335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.281335 (E_RNA) where: Base-Base interactions energy: -13.606 where: short stacking energy: -13.475 Base-Backbone interact. energy: -0.494 local terms energy: -32.182184 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -6.242 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: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -77.727219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.727219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.727219 (E_RNA) where: Base-Base interactions energy: -44.008 where: short stacking energy: -25.026 Base-Backbone interact. energy: 0.037 local terms energy: -33.756070 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -5.573 tors. eta vs tors. theta energy: -5.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -60.775934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.775934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.775934 (E_RNA) where: Base-Base interactions energy: -27.702 where: short stacking energy: -27.702 Base-Backbone interact. energy: -0.000 local terms energy: -33.074296 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -5.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -53.884234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.884234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.884234 (E_RNA) where: Base-Base interactions energy: -22.686 where: short stacking energy: -15.738 Base-Backbone interact. energy: -0.238 local terms energy: -30.960831 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -6.475 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: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -53.982781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.982781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.982781 (E_RNA) where: Base-Base interactions energy: -23.302 where: short stacking energy: -23.302 Base-Backbone interact. energy: -0.000 local terms energy: -30.680292 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -5.818 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: 5, replica: 10 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -55.896078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.896078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.896078 (E_RNA) where: Base-Base interactions energy: -23.323 where: short stacking energy: -23.323 Base-Backbone interact. energy: -0.001 local terms energy: -32.572590 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: -5.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -53.692677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.692677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.692677 (E_RNA) where: Base-Base interactions energy: -22.189 where: short stacking energy: -22.189 Base-Backbone interact. energy: -0.006 local terms energy: -31.497786 where: bonds (distance) C4'-P energy: -6.305 bonds (distance) P-C4' energy: -7.131 flat angles C4'-P-C4' energy: -7.395 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -39.012971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.012971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.012971 (E_RNA) where: Base-Base interactions energy: -16.400 where: short stacking energy: -10.698 Base-Backbone interact. energy: -0.217 local terms energy: -22.395870 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: 0.643 tors. eta vs tors. theta energy: 0.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -47.180198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.180198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.180198 (E_RNA) where: Base-Base interactions energy: -19.314 where: short stacking energy: -9.971 Base-Backbone interact. energy: -0.331 local terms energy: -27.535141 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: 0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -49.689857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.689857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.689857 (E_RNA) where: Base-Base interactions energy: -24.247 where: short stacking energy: -12.356 Base-Backbone interact. energy: -0.096 local terms energy: -25.347429 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -0.830 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: 5 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -41.637419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.637419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.637419 (E_RNA) where: Base-Base interactions energy: -13.998 where: short stacking energy: -13.998 Base-Backbone interact. energy: -0.153 local terms energy: -27.486806 where: bonds (distance) C4'-P energy: -6.056 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -0.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -78.671554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.671554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.671554 (E_RNA) where: Base-Base interactions energy: -41.958 where: short stacking energy: -25.227 Base-Backbone interact. energy: -0.037 local terms energy: -36.675611 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -8.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -80.329707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.329707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.329707 (E_RNA) where: Base-Base interactions energy: -49.223 where: short stacking energy: -24.229 Base-Backbone interact. energy: 1.269 local terms energy: -32.375840 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.811 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -64.240124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.240124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.240124 (E_RNA) where: Base-Base interactions energy: -31.414 where: short stacking energy: -31.414 Base-Backbone interact. energy: -0.000 local terms energy: -32.825998 where: bonds (distance) C4'-P energy: -4.855 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -8.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -57.438848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.438848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.438848 (E_RNA) where: Base-Base interactions energy: -22.592 where: short stacking energy: -20.700 Base-Backbone interact. energy: -0.001 local terms energy: -34.845580 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -5.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -54.097881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.097881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.097881 (E_RNA) where: Base-Base interactions energy: -18.517 where: short stacking energy: -18.517 Base-Backbone interact. energy: -0.423 local terms energy: -35.157865 where: bonds (distance) C4'-P energy: -6.494 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -6.348 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: 6, replica: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -57.400822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.400822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.400822 (E_RNA) where: Base-Base interactions energy: -25.581 where: short stacking energy: -14.942 Base-Backbone interact. energy: -0.014 local terms energy: -31.805095 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -58.130349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.130349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.130349 (E_RNA) where: Base-Base interactions energy: -26.942 where: short stacking energy: -26.942 Base-Backbone interact. energy: -0.000 local terms energy: -31.188245 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -1.632 tors. eta vs tors. theta energy: -7.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -43.611184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.611184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.611184 (E_RNA) where: Base-Base interactions energy: -19.250 where: short stacking energy: -19.089 Base-Backbone interact. energy: -0.037 local terms energy: -24.324086 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -4.431 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: 5 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -42.372834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.372834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.372834 (E_RNA) where: Base-Base interactions energy: -18.300 where: short stacking energy: -18.300 Base-Backbone interact. energy: -0.048 local terms energy: -24.025309 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: 0.258 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: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -46.287002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.287002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.287002 (E_RNA) where: Base-Base interactions energy: -17.530 where: short stacking energy: -17.530 Base-Backbone interact. energy: -0.001 local terms energy: -28.756226 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -5.174 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -78.628018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.628018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.628018 (E_RNA) where: Base-Base interactions energy: -45.655 where: short stacking energy: -17.451 Base-Backbone interact. energy: -0.074 local terms energy: -32.898418 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -65.193985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.193985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.193985 (E_RNA) where: Base-Base interactions energy: -32.188 where: short stacking energy: -23.588 Base-Backbone interact. energy: -0.045 local terms energy: -32.961308 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -5.482 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -70.211609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.211609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.211609 (E_RNA) where: Base-Base interactions energy: -36.925 where: short stacking energy: -17.488 Base-Backbone interact. energy: -0.087 local terms energy: -33.199052 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -59.006611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.006611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.006611 (E_RNA) where: Base-Base interactions energy: -23.184 where: short stacking energy: -23.008 Base-Backbone interact. energy: -0.031 local terms energy: -35.791208 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -6.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -53.100236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.100236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.100236 (E_RNA) where: Base-Base interactions energy: -20.417 where: short stacking energy: -20.417 Base-Backbone interact. energy: -0.037 local terms energy: -32.646318 where: bonds (distance) C4'-P energy: -6.172 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -50.567425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.567425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.567425 (E_RNA) where: Base-Base interactions energy: -18.298 where: short stacking energy: -13.699 Base-Backbone interact. energy: -0.110 local terms energy: -32.159184 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -2.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -44.125544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.125544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.125544 (E_RNA) where: Base-Base interactions energy: -17.377 where: short stacking energy: -17.377 Base-Backbone interact. energy: -0.003 local terms energy: -26.745542 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -2.927 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -1.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -45.065084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.065084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.065084 (E_RNA) where: Base-Base interactions energy: -19.257 where: short stacking energy: -19.257 Base-Backbone interact. energy: -0.021 local terms energy: -25.786498 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -1.177 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: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -39.526511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.526511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.526511 (E_RNA) where: Base-Base interactions energy: -12.836 where: short stacking energy: -12.836 Base-Backbone interact. energy: -0.107 local terms energy: -26.583992 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -39.898235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.898235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.898235 (E_RNA) where: Base-Base interactions energy: -16.275 where: short stacking energy: -16.275 Base-Backbone interact. energy: -0.001 local terms energy: -23.622227 where: bonds (distance) C4'-P energy: -7.149 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -1.285 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: 1, replica: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -80.833035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.833035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.833035 (E_RNA) where: Base-Base interactions energy: -43.428 where: short stacking energy: -25.491 Base-Backbone interact. energy: -0.113 local terms energy: -37.292085 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.794 flat angles P-C4'-P energy: -6.369 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: 432 Temperature: 0.950000 Total energy: -53.995528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.995528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.995528 (E_RNA) where: Base-Base interactions energy: -19.265 where: short stacking energy: -19.265 Base-Backbone interact. energy: -0.032 local terms energy: -34.699170 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -4.865 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: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -53.643600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.643600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.643600 (E_RNA) where: Base-Base interactions energy: -24.917 where: short stacking energy: -24.917 Base-Backbone interact. energy: -0.040 local terms energy: -28.685666 where: bonds (distance) C4'-P energy: -7.335 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -71.642247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.642247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.642247 (E_RNA) where: Base-Base interactions energy: -40.142 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.003 local terms energy: -31.497306 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.511 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -47.107484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.107484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.107484 (E_RNA) where: Base-Base interactions energy: -19.139 where: short stacking energy: -18.501 Base-Backbone interact. energy: 0.975 local terms energy: -28.943386 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.419 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -48.467024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.467024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.467024 (E_RNA) where: Base-Base interactions energy: -25.052 where: short stacking energy: -23.907 Base-Backbone interact. energy: -0.000 local terms energy: -23.415028 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -2.401 flat angles P-C4'-P energy: 0.291 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: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -44.536217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.536217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.536217 (E_RNA) where: Base-Base interactions energy: -17.675 where: short stacking energy: -14.251 Base-Backbone interact. energy: -0.399 local terms energy: -26.462364 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -8.002 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -4.851 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: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -45.736005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.736005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.736005 (E_RNA) where: Base-Base interactions energy: -13.556 where: short stacking energy: -14.456 Base-Backbone interact. energy: -0.044 local terms energy: -32.135343 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.141 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -47.040789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.040789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.040789 (E_RNA) where: Base-Base interactions energy: -20.591 where: short stacking energy: -14.477 Base-Backbone interact. energy: -0.000 local terms energy: -26.449237 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -36.379987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.379987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.379987 (E_RNA) where: Base-Base interactions energy: -16.236 where: short stacking energy: -16.236 Base-Backbone interact. energy: -0.087 local terms energy: -20.056314 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -5.574 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: 0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -67.335753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.335753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.335753 (E_RNA) where: Base-Base interactions energy: -34.006 where: short stacking energy: -22.833 Base-Backbone interact. energy: -0.001 local terms energy: -33.328636 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -66.277386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.277386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.277386 (E_RNA) where: Base-Base interactions energy: -29.670 where: short stacking energy: -29.670 Base-Backbone interact. energy: -0.000 local terms energy: -36.607146 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -9.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -67.074557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.074557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.074557 (E_RNA) where: Base-Base interactions energy: -28.138 where: short stacking energy: -28.138 Base-Backbone interact. energy: -0.000 local terms energy: -38.936822 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -9.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -53.766985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.766985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.766985 (E_RNA) where: Base-Base interactions energy: -19.748 where: short stacking energy: -19.518 Base-Backbone interact. energy: -0.053 local terms energy: -33.965494 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -47.270604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.270604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.270604 (E_RNA) where: Base-Base interactions energy: -19.557 where: short stacking energy: -19.557 Base-Backbone interact. energy: -0.004 local terms energy: -27.710136 where: bonds (distance) C4'-P energy: -6.698 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -2.768 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: 433 Temperature: 1.150000 Total energy: -49.142565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.142565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.142565 (E_RNA) where: Base-Base interactions energy: -20.562 where: short stacking energy: -20.562 Base-Backbone interact. energy: -0.763 local terms energy: -27.818107 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -55.829121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.829121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.829121 (E_RNA) where: Base-Base interactions energy: -23.811 where: short stacking energy: -23.811 Base-Backbone interact. energy: -0.001 local terms energy: -32.016792 where: bonds (distance) C4'-P energy: -4.828 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -6.669 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -6.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -48.862656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.862656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.862656 (E_RNA) where: Base-Base interactions energy: -16.370 where: short stacking energy: -11.215 Base-Backbone interact. energy: -0.107 local terms energy: -32.385884 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -4.839 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: 433 Temperature: 1.300000 Total energy: -38.527736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.527736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.527736 (E_RNA) where: Base-Base interactions energy: -13.076 where: short stacking energy: -7.960 Base-Backbone interact. energy: -0.093 local terms energy: -25.358710 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -44.462073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.462073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.462073 (E_RNA) where: Base-Base interactions energy: -15.883 where: short stacking energy: -15.883 Base-Backbone interact. energy: -0.006 local terms energy: -28.572917 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -65.418660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.418660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.418660 (E_RNA) where: Base-Base interactions energy: -29.685 where: short stacking energy: -16.476 Base-Backbone interact. energy: -0.009 local terms energy: -35.725137 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.541 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -65.553791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.553791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.553791 (E_RNA) where: Base-Base interactions energy: -30.235 where: short stacking energy: -30.235 Base-Backbone interact. energy: -0.000 local terms energy: -35.318935 where: bonds (distance) C4'-P energy: -2.504 bonds (distance) P-C4' energy: -6.604 flat angles C4'-P-C4' energy: -9.293 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -9.805 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: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -52.330137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.330137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.330137 (E_RNA) where: Base-Base interactions energy: -24.298 where: short stacking energy: -24.236 Base-Backbone interact. energy: -0.008 local terms energy: -28.024235 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -2.314 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -60.513794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.513794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.513794 (E_RNA) where: Base-Base interactions energy: -27.361 where: short stacking energy: -26.289 Base-Backbone interact. energy: -0.001 local terms energy: -33.151719 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -54.924488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.924488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.924488 (E_RNA) where: Base-Base interactions energy: -21.771 where: short stacking energy: -21.771 Base-Backbone interact. energy: -0.000 local terms energy: -33.153525 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -3.708 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: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -52.626303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.626303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.626303 (E_RNA) where: Base-Base interactions energy: -16.747 where: short stacking energy: -15.852 Base-Backbone interact. energy: -0.013 local terms energy: -35.867228 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -42.714559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.714559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.714559 (E_RNA) where: Base-Base interactions energy: -18.777 where: short stacking energy: -18.977 Base-Backbone interact. energy: 0.354 local terms energy: -24.292157 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: 0.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -41.522347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.522347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.522347 (E_RNA) where: Base-Base interactions energy: -14.507 where: short stacking energy: -12.492 Base-Backbone interact. energy: -0.019 local terms energy: -26.995832 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -43.884097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.884097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.884097 (E_RNA) where: Base-Base interactions energy: -15.973 where: short stacking energy: -15.973 Base-Backbone interact. energy: -0.001 local terms energy: -27.910580 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -43.835126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.835126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.835126 (E_RNA) where: Base-Base interactions energy: -12.738 where: short stacking energy: -12.738 Base-Backbone interact. energy: -0.000 local terms energy: -31.097379 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -75.083719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.083719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.083719 (E_RNA) where: Base-Base interactions energy: -38.846 where: short stacking energy: -27.712 Base-Backbone interact. energy: -0.870 local terms energy: -35.367377 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -6.688 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -6.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -54.817893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.817893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.817893 (E_RNA) where: Base-Base interactions energy: -19.251 where: short stacking energy: -19.251 Base-Backbone interact. energy: -0.007 local terms energy: -35.559672 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.684 flat angles P-C4'-P energy: -6.016 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: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -75.005671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.005671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.005671 (E_RNA) where: Base-Base interactions energy: -39.607 where: short stacking energy: -29.264 Base-Backbone interact. energy: -0.001 local terms energy: -35.397844 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -6.009 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: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -51.653091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.653091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.653091 (E_RNA) where: Base-Base interactions energy: -21.969 where: short stacking energy: -21.969 Base-Backbone interact. energy: -0.001 local terms energy: -29.682877 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -65.656453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.656453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.656453 (E_RNA) where: Base-Base interactions energy: -29.526 where: short stacking energy: -28.950 Base-Backbone interact. energy: -0.000 local terms energy: -36.129995 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -9.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -50.425807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.425807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.425807 (E_RNA) where: Base-Base interactions energy: -16.415 where: short stacking energy: -16.138 Base-Backbone interact. energy: -0.117 local terms energy: -33.893576 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -6.792 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: 7, replica: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -41.637469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.637469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.637469 (E_RNA) where: Base-Base interactions energy: -14.986 where: short stacking energy: -14.986 Base-Backbone interact. energy: -0.096 local terms energy: -26.555573 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -52.940190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.940190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.940190 (E_RNA) where: Base-Base interactions energy: -24.428 where: short stacking energy: -17.349 Base-Backbone interact. energy: -0.020 local terms energy: -28.491979 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -1.905 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: 9, replica: 6 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -40.669209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.669209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.669209 (E_RNA) where: Base-Base interactions energy: -8.896 where: short stacking energy: -8.896 Base-Backbone interact. energy: -0.001 local terms energy: -31.772123 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -45.152430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.152430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.152430 (E_RNA) where: Base-Base interactions energy: -21.694 where: short stacking energy: -15.046 Base-Backbone interact. energy: -0.002 local terms energy: -23.456312 where: bonds (distance) C4'-P energy: -3.623 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -2.897 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: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -71.902974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.902974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.902974 (E_RNA) where: Base-Base interactions energy: -34.816 where: short stacking energy: -34.816 Base-Backbone interact. energy: -0.000 local terms energy: -37.086883 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -8.646 flat angles P-C4'-P energy: -4.201 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: 436 Temperature: 0.950000 Total energy: -77.167941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.167941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.167941 (E_RNA) where: Base-Base interactions energy: -38.919 where: short stacking energy: -26.834 Base-Backbone interact. energy: 0.131 local terms energy: -38.380677 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -7.449 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: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -67.194763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.194763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.194763 (E_RNA) where: Base-Base interactions energy: -38.633 where: short stacking energy: -20.382 Base-Backbone interact. energy: -0.100 local terms energy: -28.461567 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -58.257157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.257157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.257157 (E_RNA) where: Base-Base interactions energy: -26.638 where: short stacking energy: -26.638 Base-Backbone interact. energy: -0.000 local terms energy: -31.619419 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -49.409059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.409059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.409059 (E_RNA) where: Base-Base interactions energy: -27.970 where: short stacking energy: -20.367 Base-Backbone interact. energy: -0.505 local terms energy: -20.933409 where: bonds (distance) C4'-P energy: -4.926 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -0.280 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: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -53.532516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.532516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.532516 (E_RNA) where: Base-Base interactions energy: -25.071 where: short stacking energy: -21.375 Base-Backbone interact. energy: -0.021 local terms energy: -28.440961 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -45.737249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.737249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.737249 (E_RNA) where: Base-Base interactions energy: -16.460 where: short stacking energy: -14.754 Base-Backbone interact. energy: -0.512 local terms energy: -28.765804 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -1.922 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: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -51.339470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.339470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.339470 (E_RNA) where: Base-Base interactions energy: -21.497 where: short stacking energy: -21.246 Base-Backbone interact. energy: -0.000 local terms energy: -29.841891 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -6.923 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: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -48.699017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.699017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.699017 (E_RNA) where: Base-Base interactions energy: -16.281 where: short stacking energy: -16.281 Base-Backbone interact. energy: -0.000 local terms energy: -32.417844 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -5.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -39.112699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.112699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.112699 (E_RNA) where: Base-Base interactions energy: -14.892 where: short stacking energy: -14.892 Base-Backbone interact. energy: -0.591 local terms energy: -23.629894 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -1.803 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -68.262196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.262196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.262196 (E_RNA) where: Base-Base interactions energy: -29.102 where: short stacking energy: -29.102 Base-Backbone interact. energy: -0.000 local terms energy: -39.160050 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.734 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -67.928622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.928622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.928622 (E_RNA) where: Base-Base interactions energy: -31.604 where: short stacking energy: -31.604 Base-Backbone interact. energy: -0.001 local terms energy: -36.323901 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -6.464 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: 3, replica: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -53.487903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.487903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.487903 (E_RNA) where: Base-Base interactions energy: -20.921 where: short stacking energy: -20.921 Base-Backbone interact. energy: -0.130 local terms energy: -32.436793 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -4.805 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: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -61.542114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.542114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.542114 (E_RNA) where: Base-Base interactions energy: -26.506 where: short stacking energy: -26.506 Base-Backbone interact. energy: -0.003 local terms energy: -35.033636 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -6.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -54.812369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.812369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.812369 (E_RNA) where: Base-Base interactions energy: -24.661 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.099 local terms energy: -30.052064 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -3.956 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: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -46.071424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.071424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.071424 (E_RNA) where: Base-Base interactions energy: -13.942 where: short stacking energy: -13.942 Base-Backbone interact. energy: -0.026 local terms energy: -32.102736 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.983 flat angles P-C4'-P energy: -7.010 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: 7, replica: 8 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -45.922229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.922229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.922229 (E_RNA) where: Base-Base interactions energy: -20.217 where: short stacking energy: -14.130 Base-Backbone interact. energy: -0.015 local terms energy: -25.690537 where: bonds (distance) C4'-P energy: -4.418 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -5.075 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: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -50.077175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.077175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.077175 (E_RNA) where: Base-Base interactions energy: -19.224 where: short stacking energy: -19.224 Base-Backbone interact. energy: -0.023 local terms energy: -30.829909 where: bonds (distance) C4'-P energy: -4.562 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -38.974397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.974397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.974397 (E_RNA) where: Base-Base interactions energy: -10.665 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.000 local terms energy: -28.309174 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -6.704 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -46.331657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.331657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.331657 (E_RNA) where: Base-Base interactions energy: -15.831 where: short stacking energy: -14.093 Base-Backbone interact. energy: -0.005 local terms energy: -30.495854 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -66.806875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.806875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.806875 (E_RNA) where: Base-Base interactions energy: -28.213 where: short stacking energy: -28.213 Base-Backbone interact. energy: -0.001 local terms energy: -38.592896 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -73.691770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.691770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.691770 (E_RNA) where: Base-Base interactions energy: -33.479 where: short stacking energy: -33.401 Base-Backbone interact. energy: -0.000 local terms energy: -40.212412 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -11.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -57.889562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.889562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.889562 (E_RNA) where: Base-Base interactions energy: -19.422 where: short stacking energy: -19.422 Base-Backbone interact. energy: -0.052 local terms energy: -38.415439 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -7.633 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: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -50.014824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.014824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.014824 (E_RNA) where: Base-Base interactions energy: -21.733 where: short stacking energy: -21.733 Base-Backbone interact. energy: -0.003 local terms energy: -28.278764 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -7.012 flat angles C4'-P-C4' energy: -6.556 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -50.424062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.424062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.424062 (E_RNA) where: Base-Base interactions energy: -19.386 where: short stacking energy: -19.386 Base-Backbone interact. energy: -0.000 local terms energy: -31.038414 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.131 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: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -55.470693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.470693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.470693 (E_RNA) where: Base-Base interactions energy: -21.538 where: short stacking energy: -21.227 Base-Backbone interact. energy: -0.270 local terms energy: -33.662631 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -8.884 flat angles P-C4'-P energy: -5.185 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: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -57.636253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.636253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.636253 (E_RNA) where: Base-Base interactions energy: -27.077 where: short stacking energy: -19.231 Base-Backbone interact. energy: -0.001 local terms energy: -30.559113 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -44.107727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.107727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.107727 (E_RNA) where: Base-Base interactions energy: -15.307 where: short stacking energy: -15.043 Base-Backbone interact. energy: -0.108 local terms energy: -28.692938 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -40.143820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.143820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.143820 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -12.994 Base-Backbone interact. energy: -0.000 local terms energy: -27.149723 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -36.252189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.252189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.252189 (E_RNA) where: Base-Base interactions energy: -15.466 where: short stacking energy: -14.635 Base-Backbone interact. energy: -0.057 local terms energy: -20.729400 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -67.339393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.339393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.339393 (E_RNA) where: Base-Base interactions energy: -36.739 where: short stacking energy: -25.613 Base-Backbone interact. energy: -0.128 local terms energy: -30.471884 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -59.527776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.527776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.527776 (E_RNA) where: Base-Base interactions energy: -24.460 where: short stacking energy: -23.527 Base-Backbone interact. energy: -0.099 local terms energy: -34.968666 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -65.283753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.283753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.283753 (E_RNA) where: Base-Base interactions energy: -28.880 where: short stacking energy: -28.880 Base-Backbone interact. energy: -0.000 local terms energy: -36.403624 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -6.106 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: 4, replica: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -60.005209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.005209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.005209 (E_RNA) where: Base-Base interactions energy: -28.263 where: short stacking energy: -17.258 Base-Backbone interact. energy: -0.503 local terms energy: -31.238832 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -51.945707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.945707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.945707 (E_RNA) where: Base-Base interactions energy: -24.615 where: short stacking energy: -24.615 Base-Backbone interact. energy: -0.004 local terms energy: -27.326533 where: bonds (distance) C4'-P energy: -6.477 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -5.789 tors. eta vs tors. theta energy: -4.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -54.600347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.600347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.600347 (E_RNA) where: Base-Base interactions energy: -22.396 where: short stacking energy: -21.746 Base-Backbone interact. energy: -0.000 local terms energy: -32.204527 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -8.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -48.957679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.957679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.957679 (E_RNA) where: Base-Base interactions energy: -24.074 where: short stacking energy: -12.222 Base-Backbone interact. energy: -0.025 local terms energy: -24.858221 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: 0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -54.076568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.076568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.076568 (E_RNA) where: Base-Base interactions energy: -25.320 where: short stacking energy: -25.320 Base-Backbone interact. energy: -0.000 local terms energy: -28.756727 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -2.820 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: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -46.048786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.048786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.048786 (E_RNA) where: Base-Base interactions energy: -16.550 where: short stacking energy: -16.550 Base-Backbone interact. energy: -0.008 local terms energy: -29.490723 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -6.188 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: 10, replica: 6 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -37.872200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.872200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.872200 (E_RNA) where: Base-Base interactions energy: -16.351 where: short stacking energy: -6.244 Base-Backbone interact. energy: -0.022 local terms energy: -21.498901 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -4.323 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -5.045 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: 1, replica: 9 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -67.172125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.172125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.172125 (E_RNA) where: Base-Base interactions energy: -28.954 where: short stacking energy: -28.954 Base-Backbone interact. energy: -0.000 local terms energy: -38.217855 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -60.971650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.971650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.971650 (E_RNA) where: Base-Base interactions energy: -26.041 where: short stacking energy: -26.041 Base-Backbone interact. energy: -0.007 local terms energy: -34.923948 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -5.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -59.368454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.368454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.368454 (E_RNA) where: Base-Base interactions energy: -23.898 where: short stacking energy: -23.898 Base-Backbone interact. energy: -0.000 local terms energy: -35.470484 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -9.226 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: 4, replica: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -54.164639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.164639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.164639 (E_RNA) where: Base-Base interactions energy: -18.813 where: short stacking energy: -18.813 Base-Backbone interact. energy: -0.134 local terms energy: -35.218128 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -5.761 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: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -58.873872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.873872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.873872 (E_RNA) where: Base-Base interactions energy: -20.892 where: short stacking energy: -20.028 Base-Backbone interact. energy: -0.000 local terms energy: -37.981559 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -8.596 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: 6, replica: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -45.897257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.897257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.897257 (E_RNA) where: Base-Base interactions energy: -20.266 where: short stacking energy: -19.737 Base-Backbone interact. energy: 0.090 local terms energy: -25.720460 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -4.457 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: 7, replica: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -60.920275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.920275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.920275 (E_RNA) where: Base-Base interactions energy: -25.189 where: short stacking energy: -24.314 Base-Backbone interact. energy: -0.000 local terms energy: -35.731383 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -3.591 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: 10 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -48.408163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.408163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.408163 (E_RNA) where: Base-Base interactions energy: -16.740 where: short stacking energy: -16.740 Base-Backbone interact. energy: -0.001 local terms energy: -31.667657 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.169 flat angles P-C4'-P energy: -4.970 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: 9, replica: 6 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -47.052301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.052301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.052301 (E_RNA) where: Base-Base interactions energy: -23.284 where: short stacking energy: -15.114 Base-Backbone interact. energy: -0.299 local terms energy: -23.469743 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -1.976 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -40.502312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.502312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.502312 (E_RNA) where: Base-Base interactions energy: -12.266 where: short stacking energy: -12.266 Base-Backbone interact. energy: -0.012 local terms energy: -28.224467 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -5.070 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -4.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -67.735818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.735818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.735818 (E_RNA) where: Base-Base interactions energy: -28.335 where: short stacking energy: -28.335 Base-Backbone interact. energy: -0.000 local terms energy: -39.401089 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.411 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -9.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -69.732333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.732333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.732333 (E_RNA) where: Base-Base interactions energy: -34.146 where: short stacking energy: -29.554 Base-Backbone interact. energy: -0.000 local terms energy: -35.586735 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -7.703 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: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -51.469917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.469917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.469917 (E_RNA) where: Base-Base interactions energy: -16.260 where: short stacking energy: -15.513 Base-Backbone interact. energy: -0.199 local terms energy: -35.009975 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -6.114 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: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -57.242557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.242557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.242557 (E_RNA) where: Base-Base interactions energy: -20.017 where: short stacking energy: -18.526 Base-Backbone interact. energy: -0.037 local terms energy: -37.188719 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -5.779 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: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -57.555183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.555183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.555183 (E_RNA) where: Base-Base interactions energy: -28.335 where: short stacking energy: -21.242 Base-Backbone interact. energy: -0.003 local terms energy: -29.217238 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -2.556 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: 6, replica: 3 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -48.144413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.144413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.144413 (E_RNA) where: Base-Base interactions energy: -20.764 where: short stacking energy: -20.111 Base-Backbone interact. energy: -0.000 local terms energy: -27.380182 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -1.522 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: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -50.734347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.734347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.734347 (E_RNA) where: Base-Base interactions energy: -18.841 where: short stacking energy: -15.693 Base-Backbone interact. energy: -0.003 local terms energy: -31.890085 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -5.870 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: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -45.181796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.181796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.181796 (E_RNA) where: Base-Base interactions energy: -15.439 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.008 local terms energy: -29.733907 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -3.145 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: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -42.878173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.878173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.878173 (E_RNA) where: Base-Base interactions energy: -17.124 where: short stacking energy: -17.124 Base-Backbone interact. energy: -0.156 local terms energy: -25.598276 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -5.781 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -50.020017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.020017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.020017 (E_RNA) where: Base-Base interactions energy: -20.190 where: short stacking energy: -20.190 Base-Backbone interact. energy: -0.721 local terms energy: -29.109069 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -66.893130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.893130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.893130 (E_RNA) where: Base-Base interactions energy: -27.967 where: short stacking energy: -27.575 Base-Backbone interact. energy: -0.001 local terms energy: -38.925158 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -4.479 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: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -58.213085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.213085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.213085 (E_RNA) where: Base-Base interactions energy: -25.850 where: short stacking energy: -25.850 Base-Backbone interact. energy: -0.000 local terms energy: -32.362883 where: bonds (distance) C4'-P energy: -6.604 bonds (distance) P-C4' energy: -8.784 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -64.341955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.341955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.341955 (E_RNA) where: Base-Base interactions energy: -27.128 where: short stacking energy: -27.128 Base-Backbone interact. energy: -0.001 local terms energy: -37.213265 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.561 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -9.800 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: 442 Temperature: 1.050000 Total energy: -52.002827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.002827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.002827 (E_RNA) where: Base-Base interactions energy: -20.836 where: short stacking energy: -20.283 Base-Backbone interact. energy: -0.001 local terms energy: -31.165790 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -5.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -52.312222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.312222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.312222 (E_RNA) where: Base-Base interactions energy: -15.306 where: short stacking energy: -15.306 Base-Backbone interact. energy: -0.000 local terms energy: -37.006161 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -6.791 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: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -50.656697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.656697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.656697 (E_RNA) where: Base-Base interactions energy: -21.537 where: short stacking energy: -21.537 Base-Backbone interact. energy: -0.026 local terms energy: -29.093433 where: bonds (distance) C4'-P energy: -5.158 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -5.223 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: 7, replica: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -39.041487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.041487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.041487 (E_RNA) where: Base-Base interactions energy: -13.426 where: short stacking energy: -13.426 Base-Backbone interact. energy: -0.114 local terms energy: -25.501132 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -44.672489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.672489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.672489 (E_RNA) where: Base-Base interactions energy: -16.864 where: short stacking energy: -16.864 Base-Backbone interact. energy: -0.221 local terms energy: -27.587205 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.176 flat angles P-C4'-P energy: -0.959 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: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -39.792464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.792464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.792464 (E_RNA) where: Base-Base interactions energy: -14.812 where: short stacking energy: -14.812 Base-Backbone interact. energy: -0.004 local terms energy: -24.976890 where: bonds (distance) C4'-P energy: -4.876 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -46.208217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.208217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.208217 (E_RNA) where: Base-Base interactions energy: -18.375 where: short stacking energy: -17.944 Base-Backbone interact. energy: -0.075 local terms energy: -27.758766 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -71.078199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.078199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.078199 (E_RNA) where: Base-Base interactions energy: -30.045 where: short stacking energy: -30.045 Base-Backbone interact. energy: -0.000 local terms energy: -41.032871 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -10.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -57.106716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.106716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.106716 (E_RNA) where: Base-Base interactions energy: -23.909 where: short stacking energy: -23.909 Base-Backbone interact. energy: -0.000 local terms energy: -33.197396 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -9.004 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -63.815592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.815592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.815592 (E_RNA) where: Base-Base interactions energy: -28.548 where: short stacking energy: -28.548 Base-Backbone interact. energy: -0.000 local terms energy: -35.267931 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -61.818704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.818704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.818704 (E_RNA) where: Base-Base interactions energy: -28.356 where: short stacking energy: -28.356 Base-Backbone interact. energy: -0.005 local terms energy: -33.457404 where: bonds (distance) C4'-P energy: -4.885 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -7.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -49.973269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.973269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.973269 (E_RNA) where: Base-Base interactions energy: -15.847 where: short stacking energy: -15.847 Base-Backbone interact. energy: -0.035 local terms energy: -34.091953 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -4.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -48.075511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.075511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.075511 (E_RNA) where: Base-Base interactions energy: -18.695 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.068 local terms energy: -29.311774 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -43.949128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.949128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.949128 (E_RNA) where: Base-Base interactions energy: -17.129 where: short stacking energy: -15.240 Base-Backbone interact. energy: 1.011 local terms energy: -27.831126 where: bonds (distance) C4'-P energy: -6.205 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -50.641621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.641621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.641621 (E_RNA) where: Base-Base interactions energy: -19.455 where: short stacking energy: -19.455 Base-Backbone interact. energy: -0.001 local terms energy: -31.185749 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.876 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: 9, replica: 2 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -43.924333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.924333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.924333 (E_RNA) where: Base-Base interactions energy: -17.779 where: short stacking energy: -17.779 Base-Backbone interact. energy: -0.088 local terms energy: -26.057521 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -41.011300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.011300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.011300 (E_RNA) where: Base-Base interactions energy: -13.925 where: short stacking energy: -13.925 Base-Backbone interact. energy: -0.002 local terms energy: -27.083957 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -2.979 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -60.297479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.297479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.297479 (E_RNA) where: Base-Base interactions energy: -27.307 where: short stacking energy: -27.307 Base-Backbone interact. energy: 1.817 local terms energy: -34.807936 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -4.608 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: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -72.216975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.216975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.216975 (E_RNA) where: Base-Base interactions energy: -29.669 where: short stacking energy: -29.669 Base-Backbone interact. energy: -0.000 local terms energy: -42.547695 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -5.274 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: 3, replica: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -61.621453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.621453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.621453 (E_RNA) where: Base-Base interactions energy: -27.811 where: short stacking energy: -22.588 Base-Backbone interact. energy: -0.372 local terms energy: -33.438842 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -8.880 flat angles P-C4'-P energy: -4.751 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: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -53.971283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.971283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.971283 (E_RNA) where: Base-Base interactions energy: -21.557 where: short stacking energy: -21.557 Base-Backbone interact. energy: -0.001 local terms energy: -32.414017 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -5.559 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: 3 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -50.053926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.053926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.053926 (E_RNA) where: Base-Base interactions energy: -14.971 where: short stacking energy: -14.971 Base-Backbone interact. energy: -0.001 local terms energy: -35.081959 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -48.372356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.372356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.372356 (E_RNA) where: Base-Base interactions energy: -14.051 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.046 local terms energy: -34.275685 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -5.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -51.052525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.052525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.052525 (E_RNA) where: Base-Base interactions energy: -21.659 where: short stacking energy: -21.659 Base-Backbone interact. energy: -0.000 local terms energy: -29.393088 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -44.008518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.008518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.008518 (E_RNA) where: Base-Base interactions energy: -20.040 where: short stacking energy: -20.040 Base-Backbone interact. energy: -0.004 local terms energy: -23.964645 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -4.619 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -47.680188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.680188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.680188 (E_RNA) where: Base-Base interactions energy: -23.258 where: short stacking energy: -23.258 Base-Backbone interact. energy: -0.089 local terms energy: -24.333694 where: bonds (distance) C4'-P energy: -5.739 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -45.082802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.082802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.082802 (E_RNA) where: Base-Base interactions energy: -20.379 where: short stacking energy: -12.412 Base-Backbone interact. energy: -0.004 local terms energy: -24.699449 where: bonds (distance) C4'-P energy: -0.875 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -68.995012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.995012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.995012 (E_RNA) where: Base-Base interactions energy: -32.149 where: short stacking energy: -32.149 Base-Backbone interact. energy: -0.022 local terms energy: -36.823937 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -5.718 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: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -64.687171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.687171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.687171 (E_RNA) where: Base-Base interactions energy: -31.290 where: short stacking energy: -27.136 Base-Backbone interact. energy: -0.001 local terms energy: -33.396568 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -4.348 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: 3, replica: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -55.722026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.722026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.722026 (E_RNA) where: Base-Base interactions energy: -21.735 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.001 local terms energy: -33.985834 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -2.757 flat angles P-C4'-P energy: -6.057 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: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -57.929503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.929503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.929503 (E_RNA) where: Base-Base interactions energy: -26.516 where: short stacking energy: -26.516 Base-Backbone interact. energy: -0.000 local terms energy: -31.413343 where: bonds (distance) C4'-P energy: -2.138 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -9.410 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: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -49.776623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.776623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.776623 (E_RNA) where: Base-Base interactions energy: -21.710 where: short stacking energy: -21.710 Base-Backbone interact. energy: -0.007 local terms energy: -28.059388 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -51.813376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.813376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.813376 (E_RNA) where: Base-Base interactions energy: -16.812 where: short stacking energy: -15.822 Base-Backbone interact. energy: -0.086 local terms energy: -34.915421 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -8.189 flat angles P-C4'-P energy: -5.259 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: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -48.162200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.162200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.162200 (E_RNA) where: Base-Base interactions energy: -18.331 where: short stacking energy: -18.331 Base-Backbone interact. energy: -0.078 local terms energy: -29.753544 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: 1.893 tors. eta vs tors. theta energy: -7.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -48.846280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.846280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.846280 (E_RNA) where: Base-Base interactions energy: -15.484 where: short stacking energy: -15.484 Base-Backbone interact. energy: -0.075 local terms energy: -33.287302 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -4.556 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: 9, replica: 1 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -50.373657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.373657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.373657 (E_RNA) where: Base-Base interactions energy: -21.460 where: short stacking energy: -16.508 Base-Backbone interact. energy: -0.084 local terms energy: -28.829581 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -2.508 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -41.477667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.477667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.477667 (E_RNA) where: Base-Base interactions energy: -14.831 where: short stacking energy: -14.831 Base-Backbone interact. energy: -0.027 local terms energy: -26.619284 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -5.428 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: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -66.175118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.175118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.175118 (E_RNA) where: Base-Base interactions energy: -29.017 where: short stacking energy: -29.017 Base-Backbone interact. energy: -0.005 local terms energy: -37.153350 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -5.989 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: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -58.120240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.120240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.120240 (E_RNA) where: Base-Base interactions energy: -25.469 where: short stacking energy: -25.469 Base-Backbone interact. energy: -0.001 local terms energy: -32.650919 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -7.351 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: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -54.103978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.103978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.103978 (E_RNA) where: Base-Base interactions energy: -20.458 where: short stacking energy: -20.419 Base-Backbone interact. energy: 0.773 local terms energy: -34.418542 where: bonds (distance) C4'-P energy: -5.500 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -4.752 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: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -55.480841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.480841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.480841 (E_RNA) where: Base-Base interactions energy: -23.153 where: short stacking energy: -23.153 Base-Backbone interact. energy: -0.001 local terms energy: -32.326881 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -3.543 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: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -52.323344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.323344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.323344 (E_RNA) where: Base-Base interactions energy: -21.940 where: short stacking energy: -21.940 Base-Backbone interact. energy: -0.100 local terms energy: -30.283621 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -6.051 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: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -47.147219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.147219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.147219 (E_RNA) where: Base-Base interactions energy: -19.080 where: short stacking energy: -14.508 Base-Backbone interact. energy: -0.499 local terms energy: -27.567876 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.754 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -1.235 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: 10 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -42.715695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.715695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.715695 (E_RNA) where: Base-Base interactions energy: -17.908 where: short stacking energy: -17.908 Base-Backbone interact. energy: -0.004 local terms energy: -24.803810 where: bonds (distance) C4'-P energy: -4.793 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -49.931243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.931243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.931243 (E_RNA) where: Base-Base interactions energy: -17.429 where: short stacking energy: -17.429 Base-Backbone interact. energy: -0.054 local terms energy: -32.448159 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -6.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -38.739767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.739767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.739767 (E_RNA) where: Base-Base interactions energy: -11.346 where: short stacking energy: -11.346 Base-Backbone interact. energy: -0.005 local terms energy: -27.388865 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -44.567112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.567112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.567112 (E_RNA) where: Base-Base interactions energy: -13.967 where: short stacking energy: -13.967 Base-Backbone interact. energy: -0.000 local terms energy: -30.599975 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -4.472 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: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -61.695366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.695366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.695366 (E_RNA) where: Base-Base interactions energy: -26.124 where: short stacking energy: -26.124 Base-Backbone interact. energy: -0.000 local terms energy: -35.570843 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.139 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: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -61.897732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.897732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.897732 (E_RNA) where: Base-Base interactions energy: -29.847 where: short stacking energy: -22.378 Base-Backbone interact. energy: -0.004 local terms energy: -32.047253 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -61.680096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.680096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.680096 (E_RNA) where: Base-Base interactions energy: -23.477 where: short stacking energy: -19.800 Base-Backbone interact. energy: -0.000 local terms energy: -38.203030 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -7.990 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -6.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -47.923912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.923912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.923912 (E_RNA) where: Base-Base interactions energy: -20.049 where: short stacking energy: -12.301 Base-Backbone interact. energy: -0.081 local terms energy: -27.793325 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.894 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: 5, replica: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -66.774878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.774878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.774878 (E_RNA) where: Base-Base interactions energy: -33.586 where: short stacking energy: -18.014 Base-Backbone interact. energy: -0.508 local terms energy: -32.681339 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -4.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -61.074384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.074384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.074384 (E_RNA) where: Base-Base interactions energy: -26.432 where: short stacking energy: -26.432 Base-Backbone interact. energy: -0.098 local terms energy: -34.544561 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.914 flat angles P-C4'-P energy: -2.399 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: 7, replica: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -52.267574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.267574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.267574 (E_RNA) where: Base-Base interactions energy: -18.648 where: short stacking energy: -18.648 Base-Backbone interact. energy: 0.060 local terms energy: -33.679950 where: bonds (distance) C4'-P energy: -5.113 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -6.253 tors. eta vs tors. theta energy: -7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -42.644838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.644838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.644838 (E_RNA) where: Base-Base interactions energy: -18.555 where: short stacking energy: -18.555 Base-Backbone interact. energy: -0.000 local terms energy: -24.089544 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -1.818 tors. eta vs tors. theta energy: -2.844 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: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -43.484328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.484328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.484328 (E_RNA) where: Base-Base interactions energy: -13.967 where: short stacking energy: -13.967 Base-Backbone interact. energy: 0.320 local terms energy: -29.837736 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -43.762805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.762805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.762805 (E_RNA) where: Base-Base interactions energy: -17.619 where: short stacking energy: -17.619 Base-Backbone interact. energy: -0.060 local terms energy: -26.084045 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -6.456 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -72.920032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.920032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.920032 (E_RNA) where: Base-Base interactions energy: -40.005 where: short stacking energy: -20.197 Base-Backbone interact. energy: -0.020 local terms energy: -32.895845 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -5.092 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: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -61.882760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.882760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.882760 (E_RNA) where: Base-Base interactions energy: -27.401 where: short stacking energy: -27.401 Base-Backbone interact. energy: -0.155 local terms energy: -34.326863 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -5.074 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: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -57.383332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.383332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.383332 (E_RNA) where: Base-Base interactions energy: -22.364 where: short stacking energy: -22.364 Base-Backbone interact. energy: -0.048 local terms energy: -34.971440 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -5.230 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: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -63.470010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.470010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.470010 (E_RNA) where: Base-Base interactions energy: -28.631 where: short stacking energy: -28.631 Base-Backbone interact. energy: -0.001 local terms energy: -34.838032 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -7.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -52.927048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.927048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.927048 (E_RNA) where: Base-Base interactions energy: -23.036 where: short stacking energy: -12.898 Base-Backbone interact. energy: -0.000 local terms energy: -29.891017 where: bonds (distance) C4'-P energy: -5.212 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -60.795040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.795040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.795040 (E_RNA) where: Base-Base interactions energy: -25.989 where: short stacking energy: -25.989 Base-Backbone interact. energy: -0.000 local terms energy: -34.805939 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -8.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -52.516110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.516110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.516110 (E_RNA) where: Base-Base interactions energy: -23.715 where: short stacking energy: -22.612 Base-Backbone interact. energy: -0.103 local terms energy: -28.697822 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -5.657 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -49.261014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.261014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.261014 (E_RNA) where: Base-Base interactions energy: -19.777 where: short stacking energy: -19.777 Base-Backbone interact. energy: -0.000 local terms energy: -29.483822 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -44.409167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.409167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.409167 (E_RNA) where: Base-Base interactions energy: -15.195 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.001 local terms energy: -29.213683 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -4.400 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: 6 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -43.815818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.815818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.815818 (E_RNA) where: Base-Base interactions energy: -12.124 where: short stacking energy: -12.124 Base-Backbone interact. energy: -0.059 local terms energy: -31.632766 where: bonds (distance) C4'-P energy: -7.344 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -4.742 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: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -82.004034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.004034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.004034 (E_RNA) where: Base-Base interactions energy: -47.604 where: short stacking energy: -23.973 Base-Backbone interact. energy: 0.244 local terms energy: -34.643702 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -63.370831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.370831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.370831 (E_RNA) where: Base-Base interactions energy: -31.291 where: short stacking energy: -22.149 Base-Backbone interact. energy: 0.135 local terms energy: -32.214927 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -4.781 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: 4 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -58.601186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.601186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.601186 (E_RNA) where: Base-Base interactions energy: -27.448 where: short stacking energy: -17.328 Base-Backbone interact. energy: -0.003 local terms energy: -31.149354 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -60.320671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.320671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.320671 (E_RNA) where: Base-Base interactions energy: -24.142 where: short stacking energy: -24.142 Base-Backbone interact. energy: -1.148 local terms energy: -35.030873 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.474 flat angles P-C4'-P energy: -5.141 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: 5, replica: 5 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -48.400471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.400471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.400471 (E_RNA) where: Base-Base interactions energy: -21.232 where: short stacking energy: -17.488 Base-Backbone interact. energy: 0.012 local terms energy: -27.179780 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -3.881 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: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -48.140198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.140198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.140198 (E_RNA) where: Base-Base interactions energy: -21.904 where: short stacking energy: -21.651 Base-Backbone interact. energy: -0.180 local terms energy: -26.056179 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -1.670 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: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -51.429840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.429840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.429840 (E_RNA) where: Base-Base interactions energy: -19.450 where: short stacking energy: -19.450 Base-Backbone interact. energy: -0.003 local terms energy: -31.976412 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -45.753139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.753139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.753139 (E_RNA) where: Base-Base interactions energy: -16.710 where: short stacking energy: -16.710 Base-Backbone interact. energy: -0.035 local terms energy: -29.008726 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -40.620878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.620878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.620878 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.094 local terms energy: -31.936876 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -4.120 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: 10, replica: 6 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -45.262135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.262135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.262135 (E_RNA) where: Base-Base interactions energy: -15.346 where: short stacking energy: -15.346 Base-Backbone interact. energy: -0.037 local terms energy: -29.878983 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -4.310 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: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -73.559221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.559221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.559221 (E_RNA) where: Base-Base interactions energy: -41.888 where: short stacking energy: -22.149 Base-Backbone interact. energy: -0.002 local terms energy: -31.669734 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -87.313712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.313712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.313712 (E_RNA) where: Base-Base interactions energy: -53.274 where: short stacking energy: -32.098 Base-Backbone interact. energy: -0.034 local terms energy: -34.006337 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -6.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -60.832023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.832023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.832023 (E_RNA) where: Base-Base interactions energy: -26.641 where: short stacking energy: -26.641 Base-Backbone interact. energy: -0.085 local terms energy: -34.105258 where: bonds (distance) C4'-P energy: -5.022 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -4.502 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: 4, replica: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -50.496462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.496462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.496462 (E_RNA) where: Base-Base interactions energy: -18.475 where: short stacking energy: -18.475 Base-Backbone interact. energy: 0.545 local terms energy: -32.566655 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -8.729 flat angles P-C4'-P energy: -5.499 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: 5, replica: 7 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -61.060984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.060984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.060984 (E_RNA) where: Base-Base interactions energy: -34.681 where: short stacking energy: -14.599 Base-Backbone interact. energy: -0.198 local terms energy: -26.182525 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -0.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -58.127185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.127185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.127185 (E_RNA) where: Base-Base interactions energy: -30.235 where: short stacking energy: -19.441 Base-Backbone interact. energy: -0.000 local terms energy: -27.892145 where: bonds (distance) C4'-P energy: -3.819 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.403 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: 7, replica: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -47.858776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.858776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.858776 (E_RNA) where: Base-Base interactions energy: -16.322 where: short stacking energy: -13.689 Base-Backbone interact. energy: -0.000 local terms energy: -31.536210 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -3.345 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: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -47.463170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.463170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.463170 (E_RNA) where: Base-Base interactions energy: -21.208 where: short stacking energy: -11.988 Base-Backbone interact. energy: -0.102 local terms energy: -26.153105 where: bonds (distance) C4'-P energy: -2.153 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -44.398194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.398194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.398194 (E_RNA) where: Base-Base interactions energy: -18.583 where: short stacking energy: -18.583 Base-Backbone interact. energy: -0.017 local terms energy: -25.798939 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -4.509 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) ================================== temp. level: 10, replica: 2 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -43.067742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.067742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.067742 (E_RNA) where: Base-Base interactions energy: -18.299 where: short stacking energy: -18.299 Base-Backbone interact. energy: -0.006 local terms energy: -24.763002 where: bonds (distance) C4'-P energy: -4.612 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -73.667508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.667508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.667508 (E_RNA) where: Base-Base interactions energy: -36.278 where: short stacking energy: -22.807 Base-Backbone interact. energy: 0.377 local terms energy: -37.766834 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -5.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -76.320450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.320450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.320450 (E_RNA) where: Base-Base interactions energy: -45.614 where: short stacking energy: -27.588 Base-Backbone interact. energy: -0.001 local terms energy: -30.704777 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -4.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -68.124500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.124500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.124500 (E_RNA) where: Base-Base interactions energy: -30.676 where: short stacking energy: -28.425 Base-Backbone interact. energy: -0.000 local terms energy: -37.448063 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -6.552 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: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -53.803562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.803562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.803562 (E_RNA) where: Base-Base interactions energy: -18.778 where: short stacking energy: -18.778 Base-Backbone interact. energy: 0.199 local terms energy: -35.225312 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -5.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -53.859506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.859506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.859506 (E_RNA) where: Base-Base interactions energy: -20.851 where: short stacking energy: -20.851 Base-Backbone interact. energy: -0.070 local terms energy: -32.937701 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -7.012 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: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -49.435841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.435841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.435841 (E_RNA) where: Base-Base interactions energy: -17.802 where: short stacking energy: -17.802 Base-Backbone interact. energy: -0.101 local terms energy: -31.532947 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -4.746 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: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -54.079006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.079006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.079006 (E_RNA) where: Base-Base interactions energy: -27.093 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.059 local terms energy: -26.926888 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -50.267399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.267399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.267399 (E_RNA) where: Base-Base interactions energy: -16.704 where: short stacking energy: -16.681 Base-Backbone interact. energy: -0.114 local terms energy: -33.448926 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -4.201 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: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -48.568593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.568593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.568593 (E_RNA) where: Base-Base interactions energy: -21.068 where: short stacking energy: -21.068 Base-Backbone interact. energy: -0.097 local terms energy: -27.403410 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.771 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -41.845657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.845657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.845657 (E_RNA) where: Base-Base interactions energy: -14.987 where: short stacking energy: -12.246 Base-Backbone interact. energy: 0.312 local terms energy: -27.171048 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -74.404855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.404855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.404855 (E_RNA) where: Base-Base interactions energy: -37.187 where: short stacking energy: -28.188 Base-Backbone interact. energy: -0.000 local terms energy: -37.217677 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -7.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -77.711805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.711805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.711805 (E_RNA) where: Base-Base interactions energy: -45.053 where: short stacking energy: -31.205 Base-Backbone interact. energy: 0.143 local terms energy: -32.801207 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -5.340 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: 3, replica: 7 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -62.406595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.406595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.406595 (E_RNA) where: Base-Base interactions energy: -27.286 where: short stacking energy: -27.286 Base-Backbone interact. energy: -0.000 local terms energy: -35.120460 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -7.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -58.807202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.807202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.807202 (E_RNA) where: Base-Base interactions energy: -24.803 where: short stacking energy: -24.803 Base-Backbone interact. energy: -0.004 local terms energy: -34.000687 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -6.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -55.790552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.790552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.790552 (E_RNA) where: Base-Base interactions energy: -24.780 where: short stacking energy: -24.780 Base-Backbone interact. energy: -0.000 local terms energy: -31.009657 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -6.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -50.146063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.146063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.146063 (E_RNA) where: Base-Base interactions energy: -24.486 where: short stacking energy: -23.832 Base-Backbone interact. energy: -0.015 local terms energy: -25.645624 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -3.127 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: 7, replica: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -51.682341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.682341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.682341 (E_RNA) where: Base-Base interactions energy: -16.876 where: short stacking energy: -16.876 Base-Backbone interact. energy: -0.006 local terms energy: -34.799754 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -6.208 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: 8, replica: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -54.778655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.778655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.778655 (E_RNA) where: Base-Base interactions energy: -21.884 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.000 local terms energy: -32.894492 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -3.663 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: 9, replica: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -46.334119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.334119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.334119 (E_RNA) where: Base-Base interactions energy: -18.805 where: short stacking energy: -18.805 Base-Backbone interact. energy: -0.005 local terms energy: -27.523862 where: bonds (distance) C4'-P energy: -1.747 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -5.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -44.175744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.175744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.175744 (E_RNA) where: Base-Base interactions energy: -18.838 where: short stacking energy: -18.838 Base-Backbone interact. energy: 0.354 local terms energy: -25.691870 where: bonds (distance) C4'-P energy: -3.801 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -1.811 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: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -70.681471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.681471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.681471 (E_RNA) where: Base-Base interactions energy: -35.503 where: short stacking energy: -23.744 Base-Backbone interact. energy: -0.000 local terms energy: -35.178611 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -5.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -63.436541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.436541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.436541 (E_RNA) where: Base-Base interactions energy: -30.803 where: short stacking energy: -30.803 Base-Backbone interact. energy: -0.001 local terms energy: -32.632788 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -6.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -62.505423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.505423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.505423 (E_RNA) where: Base-Base interactions energy: -26.501 where: short stacking energy: -26.501 Base-Backbone interact. energy: -0.000 local terms energy: -36.004307 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -57.905780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.905780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.905780 (E_RNA) where: Base-Base interactions energy: -22.006 where: short stacking energy: -22.006 Base-Backbone interact. energy: -0.000 local terms energy: -35.899287 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -7.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -45.989880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.989880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.989880 (E_RNA) where: Base-Base interactions energy: -14.216 where: short stacking energy: -14.216 Base-Backbone interact. energy: -0.001 local terms energy: -31.772473 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -9.239 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -1.281 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: 453 Temperature: 1.150000 Total energy: -56.254478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.254478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.254478 (E_RNA) where: Base-Base interactions energy: -27.237 where: short stacking energy: -17.530 Base-Backbone interact. energy: -0.081 local terms energy: -28.936246 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.563 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -2.208 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: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -56.425457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.425457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.425457 (E_RNA) where: Base-Base interactions energy: -26.215 where: short stacking energy: -26.169 Base-Backbone interact. energy: -0.000 local terms energy: -30.210663 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -6.920 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -0.672 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -42.200931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.200931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.200931 (E_RNA) where: Base-Base interactions energy: -14.725 where: short stacking energy: -14.725 Base-Backbone interact. energy: -0.001 local terms energy: -27.474877 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -49.185443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.185443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.185443 (E_RNA) where: Base-Base interactions energy: -17.441 where: short stacking energy: -17.441 Base-Backbone interact. energy: -0.128 local terms energy: -31.617084 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -2.567 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -6.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -38.973089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.973089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.973089 (E_RNA) where: Base-Base interactions energy: -12.142 where: short stacking energy: -11.457 Base-Backbone interact. energy: 0.624 local terms energy: -27.454956 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -5.772 tors. eta vs tors. theta energy: -0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -69.545510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.545510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.545510 (E_RNA) where: Base-Base interactions energy: -29.550 where: short stacking energy: -29.550 Base-Backbone interact. energy: -0.000 local terms energy: -39.995411 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.011 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -10.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -59.785961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.785961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.785961 (E_RNA) where: Base-Base interactions energy: -26.309 where: short stacking energy: -26.309 Base-Backbone interact. energy: -0.002 local terms energy: -33.475669 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -3.822 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: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -58.831681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.831681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.831681 (E_RNA) where: Base-Base interactions energy: -21.569 where: short stacking energy: -21.232 Base-Backbone interact. energy: -0.032 local terms energy: -37.231242 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -6.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -72.601581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.601581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.601581 (E_RNA) where: Base-Base interactions energy: -39.824 where: short stacking energy: -23.267 Base-Backbone interact. energy: -0.024 local terms energy: -32.753088 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.857 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -59.301676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.301676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.301676 (E_RNA) where: Base-Base interactions energy: -29.041 where: short stacking energy: -19.826 Base-Backbone interact. energy: -0.015 local terms energy: -30.244838 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -4.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -46.156987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.156987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.156987 (E_RNA) where: Base-Base interactions energy: -17.378 where: short stacking energy: -14.071 Base-Backbone interact. energy: -0.006 local terms energy: -28.772386 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -1.878 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: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -54.463197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.463197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.463197 (E_RNA) where: Base-Base interactions energy: -21.437 where: short stacking energy: -21.437 Base-Backbone interact. energy: -0.051 local terms energy: -32.975460 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -6.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -52.249752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.249752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.249752 (E_RNA) where: Base-Base interactions energy: -17.841 where: short stacking energy: -17.841 Base-Backbone interact. energy: -0.318 local terms energy: -34.090767 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -5.801 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: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -40.317134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.317134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.317134 (E_RNA) where: Base-Base interactions energy: -10.574 where: short stacking energy: -10.574 Base-Backbone interact. energy: -0.090 local terms energy: -29.654028 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -45.713328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.713328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.713328 (E_RNA) where: Base-Base interactions energy: -17.540 where: short stacking energy: -16.686 Base-Backbone interact. energy: -0.019 local terms energy: -28.154162 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -73.517633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.517633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.517633 (E_RNA) where: Base-Base interactions energy: -38.467 where: short stacking energy: -23.506 Base-Backbone interact. energy: -0.000 local terms energy: -35.050626 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.170 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -7.006 tors. eta vs tors. theta energy: -6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -64.295610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.295610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.295610 (E_RNA) where: Base-Base interactions energy: -25.262 where: short stacking energy: -25.262 Base-Backbone interact. energy: -0.011 local terms energy: -39.022170 where: bonds (distance) C4'-P energy: -7.778 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -7.092 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: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -62.978488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.978488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.978488 (E_RNA) where: Base-Base interactions energy: -26.450 where: short stacking energy: -26.303 Base-Backbone interact. energy: -0.020 local terms energy: -36.508735 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -5.367 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: 455 Temperature: 1.050000 Total energy: -54.465368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.465368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.465368 (E_RNA) where: Base-Base interactions energy: -21.386 where: short stacking energy: -21.386 Base-Backbone interact. energy: -0.002 local terms energy: -33.077229 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -5.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -63.393354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.393354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.393354 (E_RNA) where: Base-Base interactions energy: -31.351 where: short stacking energy: -23.223 Base-Backbone interact. energy: -0.005 local terms energy: -32.037923 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -54.172766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.172766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.172766 (E_RNA) where: Base-Base interactions energy: -27.663 where: short stacking energy: -19.420 Base-Backbone interact. energy: -0.099 local terms energy: -26.410797 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -1.518 tors. eta vs tors. theta energy: -0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -47.421908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.421908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.421908 (E_RNA) where: Base-Base interactions energy: -17.557 where: short stacking energy: -17.557 Base-Backbone interact. energy: -0.175 local terms energy: -29.690590 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -4.675 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -46.969803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.969803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.969803 (E_RNA) where: Base-Base interactions energy: -17.834 where: short stacking energy: -17.834 Base-Backbone interact. energy: -0.698 local terms energy: -28.438346 where: bonds (distance) C4'-P energy: -6.192 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -43.937804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.937804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.937804 (E_RNA) where: Base-Base interactions energy: -18.087 where: short stacking energy: -18.087 Base-Backbone interact. energy: -0.642 local terms energy: -25.209012 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.415 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -42.266867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.266867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.266867 (E_RNA) where: Base-Base interactions energy: -16.263 where: short stacking energy: -15.229 Base-Backbone interact. energy: -0.088 local terms energy: -25.916443 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -1.967 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: 1, replica: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -73.921095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.921095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.921095 (E_RNA) where: Base-Base interactions energy: -33.917 where: short stacking energy: -23.700 Base-Backbone interact. energy: -0.610 local terms energy: -39.394489 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -6.637 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: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -62.336920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.336920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.336920 (E_RNA) where: Base-Base interactions energy: -25.077 where: short stacking energy: -25.077 Base-Backbone interact. energy: -0.000 local terms energy: -37.259443 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -7.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -62.349727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.349727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.349727 (E_RNA) where: Base-Base interactions energy: -32.828 where: short stacking energy: -23.368 Base-Backbone interact. energy: -0.078 local terms energy: -29.443633 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -56.759259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.759259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.759259 (E_RNA) where: Base-Base interactions energy: -21.796 where: short stacking energy: -21.796 Base-Backbone interact. energy: -0.014 local terms energy: -34.948826 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -7.253 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: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -50.106947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.106947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.106947 (E_RNA) where: Base-Base interactions energy: -20.493 where: short stacking energy: -20.493 Base-Backbone interact. energy: -0.001 local terms energy: -29.612859 where: bonds (distance) C4'-P energy: -4.955 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -5.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -52.484676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.484676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.484676 (E_RNA) where: Base-Base interactions energy: -21.658 where: short stacking energy: -16.959 Base-Backbone interact. energy: -0.009 local terms energy: -30.816967 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -5.411 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -6.042 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: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -46.908754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.908754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.908754 (E_RNA) where: Base-Base interactions energy: -18.149 where: short stacking energy: -17.056 Base-Backbone interact. energy: -0.004 local terms energy: -28.755562 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -0.512 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: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -51.194705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.194705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.194705 (E_RNA) where: Base-Base interactions energy: -18.611 where: short stacking energy: -18.611 Base-Backbone interact. energy: -0.000 local terms energy: -32.583464 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -4.959 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: 9, replica: 5 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -42.801180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.801180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.801180 (E_RNA) where: Base-Base interactions energy: -22.054 where: short stacking energy: -22.054 Base-Backbone interact. energy: -0.006 local terms energy: -20.740938 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -2.864 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -40.705273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.705273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.705273 (E_RNA) where: Base-Base interactions energy: -19.610 where: short stacking energy: -19.610 Base-Backbone interact. energy: -0.053 local terms energy: -21.042278 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -3.240 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -3.589 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: 1, replica: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -75.902522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.902522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.902522 (E_RNA) where: Base-Base interactions energy: -38.824 where: short stacking energy: -27.264 Base-Backbone interact. energy: -0.060 local terms energy: -37.018992 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -57.641028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.641028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.641028 (E_RNA) where: Base-Base interactions energy: -25.613 where: short stacking energy: -25.549 Base-Backbone interact. energy: -0.039 local terms energy: -31.988461 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -6.242 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: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -59.325691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.325691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.325691 (E_RNA) where: Base-Base interactions energy: -27.122 where: short stacking energy: -27.122 Base-Backbone interact. energy: -0.001 local terms energy: -32.202712 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -3.348 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: 4, replica: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -57.823515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.823515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.823515 (E_RNA) where: Base-Base interactions energy: -24.999 where: short stacking energy: -22.808 Base-Backbone interact. energy: 0.371 local terms energy: -33.195526 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.958 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -3.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -51.700395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.700395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.700395 (E_RNA) where: Base-Base interactions energy: -26.099 where: short stacking energy: -26.099 Base-Backbone interact. energy: -0.002 local terms energy: -25.599447 where: bonds (distance) C4'-P energy: -4.193 bonds (distance) P-C4' energy: -4.256 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -4.327 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: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -51.450876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.450876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.450876 (E_RNA) where: Base-Base interactions energy: -18.851 where: short stacking energy: -18.851 Base-Backbone interact. energy: -0.109 local terms energy: -32.491164 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -48.854258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.854258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.854258 (E_RNA) where: Base-Base interactions energy: -18.801 where: short stacking energy: -18.801 Base-Backbone interact. energy: -0.000 local terms energy: -30.052721 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -6.587 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: 8, replica: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -39.303829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.303829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.303829 (E_RNA) where: Base-Base interactions energy: -12.464 where: short stacking energy: -12.464 Base-Backbone interact. energy: -0.004 local terms energy: -26.835969 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -6.191 flat angles C4'-P-C4' energy: -9.269 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -41.396698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.396698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.396698 (E_RNA) where: Base-Base interactions energy: -16.626 where: short stacking energy: -16.626 Base-Backbone interact. energy: -0.003 local terms energy: -24.767951 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -5.006 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -39.513845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.513845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.513845 (E_RNA) where: Base-Base interactions energy: -12.386 where: short stacking energy: -9.061 Base-Backbone interact. energy: -0.104 local terms energy: -27.024317 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -69.416804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.416804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.416804 (E_RNA) where: Base-Base interactions energy: -37.415 where: short stacking energy: -21.427 Base-Backbone interact. energy: -0.029 local terms energy: -31.973024 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -5.321 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: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -57.635070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.635070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.635070 (E_RNA) where: Base-Base interactions energy: -24.347 where: short stacking energy: -24.347 Base-Backbone interact. energy: -0.007 local terms energy: -33.281414 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -59.900232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.900232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.900232 (E_RNA) where: Base-Base interactions energy: -23.796 where: short stacking energy: -23.796 Base-Backbone interact. energy: -0.076 local terms energy: -36.028590 where: bonds (distance) C4'-P energy: -5.560 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -8.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -55.991685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.991685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.991685 (E_RNA) where: Base-Base interactions energy: -23.527 where: short stacking energy: -23.527 Base-Backbone interact. energy: -0.012 local terms energy: -32.452878 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -3.916 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: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -45.892597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.892597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.892597 (E_RNA) where: Base-Base interactions energy: -20.272 where: short stacking energy: -20.272 Base-Backbone interact. energy: -0.045 local terms energy: -25.575488 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -3.115 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: 6, replica: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -51.340459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.340459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.340459 (E_RNA) where: Base-Base interactions energy: -18.702 where: short stacking energy: -18.702 Base-Backbone interact. energy: -0.000 local terms energy: -32.637830 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -2.764 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: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -47.377610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.377610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.377610 (E_RNA) where: Base-Base interactions energy: -24.149 where: short stacking energy: -18.610 Base-Backbone interact. energy: 0.251 local terms energy: -23.479903 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -3.287 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: -1.752 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: 3 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -51.633129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.633129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.633129 (E_RNA) where: Base-Base interactions energy: -26.353 where: short stacking energy: -9.905 Base-Backbone interact. energy: -0.258 local terms energy: -25.022533 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -4.595 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: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -39.671260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.671260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.671260 (E_RNA) where: Base-Base interactions energy: -16.284 where: short stacking energy: -15.433 Base-Backbone interact. energy: -0.116 local terms energy: -23.271926 where: bonds (distance) C4'-P energy: -5.908 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -42.495098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.495098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.495098 (E_RNA) where: Base-Base interactions energy: -17.085 where: short stacking energy: -13.163 Base-Backbone interact. energy: -0.010 local terms energy: -25.399461 where: bonds (distance) C4'-P energy: -2.198 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -6.335 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: 1, replica: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -75.693800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.693800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.693800 (E_RNA) where: Base-Base interactions energy: -38.027 where: short stacking energy: -21.831 Base-Backbone interact. energy: -0.004 local terms energy: -37.662529 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -7.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -61.422113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.422113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.422113 (E_RNA) where: Base-Base interactions energy: -27.783 where: short stacking energy: -27.783 Base-Backbone interact. energy: -0.218 local terms energy: -33.420517 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -60.087335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.087335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.087335 (E_RNA) where: Base-Base interactions energy: -27.961 where: short stacking energy: -27.961 Base-Backbone interact. energy: -0.004 local terms energy: -32.122399 where: bonds (distance) C4'-P energy: -5.530 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -5.713 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: 4, replica: 9 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -60.353932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.353932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.353932 (E_RNA) where: Base-Base interactions energy: -28.380 where: short stacking energy: -28.380 Base-Backbone interact. energy: -0.000 local terms energy: -31.973484 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -3.779 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: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -51.778219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.778219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.778219 (E_RNA) where: Base-Base interactions energy: -18.192 where: short stacking energy: -18.192 Base-Backbone interact. energy: -0.090 local terms energy: -33.496354 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -6.746 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: 6, replica: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -54.649978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.649978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.649978 (E_RNA) where: Base-Base interactions energy: -25.397 where: short stacking energy: -15.504 Base-Backbone interact. energy: -0.016 local terms energy: -29.236750 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -50.386453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.386453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.386453 (E_RNA) where: Base-Base interactions energy: -17.297 where: short stacking energy: -17.297 Base-Backbone interact. energy: -0.003 local terms energy: -33.086854 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -6.829 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: 8, replica: 3 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -42.090583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.090583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.090583 (E_RNA) where: Base-Base interactions energy: -13.974 where: short stacking energy: -13.974 Base-Backbone interact. energy: 1.088 local terms energy: -29.204129 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -6.369 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: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -45.744682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.744682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.744682 (E_RNA) where: Base-Base interactions energy: -16.132 where: short stacking energy: -11.565 Base-Backbone interact. energy: -0.345 local terms energy: -29.267349 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -39.239893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.239893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.239893 (E_RNA) where: Base-Base interactions energy: -11.810 where: short stacking energy: -9.898 Base-Backbone interact. energy: -0.502 local terms energy: -26.927425 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -2.429 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -75.755661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.755661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.755661 (E_RNA) where: Base-Base interactions energy: -39.154 where: short stacking energy: -25.885 Base-Backbone interact. energy: -0.006 local terms energy: -36.595773 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -7.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -52.980972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.980972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.980972 (E_RNA) where: Base-Base interactions energy: -20.550 where: short stacking energy: -16.431 Base-Backbone interact. energy: -0.282 local terms energy: -32.149070 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -5.291 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -66.364489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.364489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.364489 (E_RNA) where: Base-Base interactions energy: -28.944 where: short stacking energy: -28.944 Base-Backbone interact. energy: -0.000 local terms energy: -37.420088 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -7.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -54.349540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.349540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.349540 (E_RNA) where: Base-Base interactions energy: -26.810 where: short stacking energy: -22.400 Base-Backbone interact. energy: -0.001 local terms energy: -27.538936 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -47.266965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.266965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.266965 (E_RNA) where: Base-Base interactions energy: -19.455 where: short stacking energy: -19.455 Base-Backbone interact. energy: -0.086 local terms energy: -27.725964 where: bonds (distance) C4'-P energy: -6.056 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -56.953542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.953542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.953542 (E_RNA) where: Base-Base interactions energy: -25.103 where: short stacking energy: -25.103 Base-Backbone interact. energy: -0.001 local terms energy: -31.849563 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -43.135589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.135589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.135589 (E_RNA) where: Base-Base interactions energy: -14.643 where: short stacking energy: -14.643 Base-Backbone interact. energy: -0.068 local terms energy: -28.424444 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -50.509498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.509498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.509498 (E_RNA) where: Base-Base interactions energy: -18.802 where: short stacking energy: -18.802 Base-Backbone interact. energy: -0.089 local terms energy: -31.619226 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -45.277649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.277649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.277649 (E_RNA) where: Base-Base interactions energy: -20.558 where: short stacking energy: -8.042 Base-Backbone interact. energy: -0.021 local terms energy: -24.698761 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: 0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -43.600457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.600457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.600457 (E_RNA) where: Base-Base interactions energy: -19.156 where: short stacking energy: -14.134 Base-Backbone interact. energy: -0.058 local terms energy: -24.386181 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -1.285 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -73.567998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.567998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.567998 (E_RNA) where: Base-Base interactions energy: -41.173 where: short stacking energy: -24.711 Base-Backbone interact. energy: -0.006 local terms energy: -32.388644 where: bonds (distance) C4'-P energy: -5.948 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -61.266344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.266344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.266344 (E_RNA) where: Base-Base interactions energy: -21.908 where: short stacking energy: -21.908 Base-Backbone interact. energy: -0.000 local terms energy: -39.358529 where: bonds (distance) C4'-P energy: -7.459 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -9.052 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -5.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -63.170592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.170592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.170592 (E_RNA) where: Base-Base interactions energy: -26.700 where: short stacking energy: -26.700 Base-Backbone interact. energy: -0.000 local terms energy: -36.470762 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.605 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -9.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -55.322394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.322394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.322394 (E_RNA) where: Base-Base interactions energy: -22.875 where: short stacking energy: -22.166 Base-Backbone interact. energy: -0.017 local terms energy: -32.430241 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -3.828 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: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -51.022025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.022025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.022025 (E_RNA) where: Base-Base interactions energy: -20.674 where: short stacking energy: -20.674 Base-Backbone interact. energy: -0.020 local terms energy: -30.328119 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -51.417253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.417253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.417253 (E_RNA) where: Base-Base interactions energy: -19.841 where: short stacking energy: -19.841 Base-Backbone interact. energy: -0.002 local terms energy: -31.574812 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.700 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: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -49.702642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.702642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.702642 (E_RNA) where: Base-Base interactions energy: -17.617 where: short stacking energy: -17.617 Base-Backbone interact. energy: -0.003 local terms energy: -32.083051 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -43.708379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.708379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.708379 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.004 local terms energy: -32.901688 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -6.796 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: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -46.419018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.419018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.419018 (E_RNA) where: Base-Base interactions energy: -16.630 where: short stacking energy: -16.630 Base-Backbone interact. energy: -0.073 local terms energy: -29.715272 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -43.430962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.430962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.430962 (E_RNA) where: Base-Base interactions energy: -16.587 where: short stacking energy: -16.587 Base-Backbone interact. energy: 1.223 local terms energy: -28.066870 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -4.535 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -67.370188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.370188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.370188 (E_RNA) where: Base-Base interactions energy: -29.453 where: short stacking energy: -29.453 Base-Backbone interact. energy: -0.000 local terms energy: -37.916815 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -7.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -66.180999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.180999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.180999 (E_RNA) where: Base-Base interactions energy: -30.909 where: short stacking energy: -30.909 Base-Backbone interact. energy: -0.026 local terms energy: -35.245812 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -8.115 flat angles P-C4'-P energy: -2.354 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: 3, replica: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -58.194368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.194368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.194368 (E_RNA) where: Base-Base interactions energy: -22.810 where: short stacking energy: -20.577 Base-Backbone interact. energy: -0.003 local terms energy: -35.381348 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -59.795192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.795192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.795192 (E_RNA) where: Base-Base interactions energy: -26.382 where: short stacking energy: -13.943 Base-Backbone interact. energy: 0.372 local terms energy: -33.784851 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -6.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -50.050765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.050765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.050765 (E_RNA) where: Base-Base interactions energy: -17.915 where: short stacking energy: -17.915 Base-Backbone interact. energy: -0.186 local terms energy: -31.949729 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -5.276 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: 6, replica: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -58.781946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.781946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.781946 (E_RNA) where: Base-Base interactions energy: -28.489 where: short stacking energy: -21.679 Base-Backbone interact. energy: -0.033 local terms energy: -30.260046 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -3.657 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: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -45.087661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.087661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.087661 (E_RNA) where: Base-Base interactions energy: -24.783 where: short stacking energy: -10.377 Base-Backbone interact. energy: -0.102 local terms energy: -20.202455 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: 2.070 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: 462 Temperature: 1.250000 Total energy: -46.901294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.901294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.901294 (E_RNA) where: Base-Base interactions energy: -16.112 where: short stacking energy: -16.112 Base-Backbone interact. energy: -0.010 local terms energy: -30.779342 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -42.718734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.718734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.718734 (E_RNA) where: Base-Base interactions energy: -18.169 where: short stacking energy: -18.169 Base-Backbone interact. energy: 0.434 local terms energy: -24.983994 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -0.878 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -44.476961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.476961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.476961 (E_RNA) where: Base-Base interactions energy: -14.534 where: short stacking energy: -14.534 Base-Backbone interact. energy: -0.083 local terms energy: -29.860519 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -8.117 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -65.131451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.131451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.131451 (E_RNA) where: Base-Base interactions energy: -28.032 where: short stacking energy: -28.032 Base-Backbone interact. energy: -0.007 local terms energy: -37.092526 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -9.269 flat angles P-C4'-P energy: -5.165 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: 2, replica: 7 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -79.561621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.561621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.561621 (E_RNA) where: Base-Base interactions energy: -44.142 where: short stacking energy: -28.582 Base-Backbone interact. energy: 0.350 local terms energy: -35.769227 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.416 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -57.288938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.288938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.288938 (E_RNA) where: Base-Base interactions energy: -21.032 where: short stacking energy: -16.921 Base-Backbone interact. energy: -0.036 local terms energy: -36.220000 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -55.079108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.079108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.079108 (E_RNA) where: Base-Base interactions energy: -26.339 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.030 local terms energy: -28.709756 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: -0.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -58.705422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.705422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.705422 (E_RNA) where: Base-Base interactions energy: -24.275 where: short stacking energy: -24.275 Base-Backbone interact. energy: -0.057 local terms energy: -34.373150 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -6.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -55.640746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.640746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.640746 (E_RNA) where: Base-Base interactions energy: -23.284 where: short stacking energy: -23.284 Base-Backbone interact. energy: -0.066 local terms energy: -32.289921 where: bonds (distance) C4'-P energy: -4.608 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -6.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -53.076199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.076199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.076199 (E_RNA) where: Base-Base interactions energy: -21.000 where: short stacking energy: -21.000 Base-Backbone interact. energy: -0.002 local terms energy: -32.074151 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -3.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -41.804198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.804198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.804198 (E_RNA) where: Base-Base interactions energy: -17.603 where: short stacking energy: -14.735 Base-Backbone interact. energy: -0.003 local terms energy: -24.197755 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.080 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -44.077707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.077707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.077707 (E_RNA) where: Base-Base interactions energy: -18.858 where: short stacking energy: -11.770 Base-Backbone interact. energy: 0.929 local terms energy: -26.148605 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -6.457 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: 10, replica: 5 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -44.003481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.003481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.003481 (E_RNA) where: Base-Base interactions energy: -16.728 where: short stacking energy: -16.728 Base-Backbone interact. energy: -0.020 local terms energy: -27.256029 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -1.550 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -78.319611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.319611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.319611 (E_RNA) where: Base-Base interactions energy: -41.978 where: short stacking energy: -29.367 Base-Backbone interact. energy: -0.000 local terms energy: -36.341712 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -2.993 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: 9 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -59.590677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.590677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.590677 (E_RNA) where: Base-Base interactions energy: -25.605 where: short stacking energy: -25.605 Base-Backbone interact. energy: -0.065 local terms energy: -33.920790 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -3.886 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -9.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -67.322491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.322491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.322491 (E_RNA) where: Base-Base interactions energy: -29.906 where: short stacking energy: -29.906 Base-Backbone interact. energy: -0.001 local terms energy: -37.415728 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -10.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -61.604141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.604141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.604141 (E_RNA) where: Base-Base interactions energy: -26.582 where: short stacking energy: -26.582 Base-Backbone interact. energy: -0.000 local terms energy: -35.022428 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -8.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -54.789767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.789767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.789767 (E_RNA) where: Base-Base interactions energy: -21.329 where: short stacking energy: -21.329 Base-Backbone interact. energy: -0.000 local terms energy: -33.460927 where: bonds (distance) C4'-P energy: -4.656 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -8.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -44.819558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.819558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.819558 (E_RNA) where: Base-Base interactions energy: -17.147 where: short stacking energy: -17.147 Base-Backbone interact. energy: -0.064 local terms energy: -27.608408 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -4.229 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -45.544956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.544956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.544956 (E_RNA) where: Base-Base interactions energy: -15.356 where: short stacking energy: -15.356 Base-Backbone interact. energy: -0.124 local terms energy: -30.064457 where: bonds (distance) C4'-P energy: -4.612 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -43.296513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.296513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.296513 (E_RNA) where: Base-Base interactions energy: -10.465 where: short stacking energy: -10.465 Base-Backbone interact. energy: -0.066 local terms energy: -32.765249 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -39.001522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.001522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.001522 (E_RNA) where: Base-Base interactions energy: -13.700 where: short stacking energy: -13.700 Base-Backbone interact. energy: -0.008 local terms energy: -25.293778 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: 0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -46.940132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.940132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.940132 (E_RNA) where: Base-Base interactions energy: -18.228 where: short stacking energy: -17.755 Base-Backbone interact. energy: -0.000 local terms energy: -28.712041 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -6.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -67.891815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.891815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.891815 (E_RNA) where: Base-Base interactions energy: -31.847 where: short stacking energy: -23.721 Base-Backbone interact. energy: -0.000 local terms energy: -36.044631 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -6.917 tors. eta vs tors. theta energy: -6.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -61.107613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.107613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.107613 (E_RNA) where: Base-Base interactions energy: -26.141 where: short stacking energy: -26.141 Base-Backbone interact. energy: -0.001 local terms energy: -34.965982 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.747 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -5.222 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: 465 Temperature: 1.000000 Total energy: -57.303442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.303442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.303442 (E_RNA) where: Base-Base interactions energy: -23.740 where: short stacking energy: -23.740 Base-Backbone interact. energy: -0.000 local terms energy: -33.563688 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -6.325 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: 4, replica: 1 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -51.732857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.732857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.732857 (E_RNA) where: Base-Base interactions energy: -22.740 where: short stacking energy: -21.611 Base-Backbone interact. energy: -0.115 local terms energy: -28.878716 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -5.378 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: 5, replica: 6 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -51.707433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.707433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.707433 (E_RNA) where: Base-Base interactions energy: -21.581 where: short stacking energy: -21.581 Base-Backbone interact. energy: -0.003 local terms energy: -30.123160 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -48.440522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.440522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.440522 (E_RNA) where: Base-Base interactions energy: -18.688 where: short stacking energy: -18.688 Base-Backbone interact. energy: -0.104 local terms energy: -29.649355 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -50.028209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.028209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.028209 (E_RNA) where: Base-Base interactions energy: -19.893 where: short stacking energy: -19.893 Base-Backbone interact. energy: -0.025 local terms energy: -30.110931 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -46.002713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.002713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.002713 (E_RNA) where: Base-Base interactions energy: -17.852 where: short stacking energy: -17.852 Base-Backbone interact. energy: -0.052 local terms energy: -28.098342 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -0.811 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: 4 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -44.842276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.842276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.842276 (E_RNA) where: Base-Base interactions energy: -13.027 where: short stacking energy: -13.027 Base-Backbone interact. energy: -0.002 local terms energy: -31.813443 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -42.804591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.804591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.804591 (E_RNA) where: Base-Base interactions energy: -19.272 where: short stacking energy: -19.272 Base-Backbone interact. energy: -0.088 local terms energy: -23.444843 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -3.211 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -69.989468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.989468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.989468 (E_RNA) where: Base-Base interactions energy: -32.680 where: short stacking energy: -32.680 Base-Backbone interact. energy: -0.000 local terms energy: -37.309340 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -8.034 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: 2, replica: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -64.978202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.978202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.978202 (E_RNA) where: Base-Base interactions energy: -32.062 where: short stacking energy: -24.848 Base-Backbone interact. energy: -0.001 local terms energy: -32.915263 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -53.511819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.511819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.511819 (E_RNA) where: Base-Base interactions energy: -20.325 where: short stacking energy: -20.325 Base-Backbone interact. energy: -0.002 local terms energy: -33.185182 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -6.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -68.184737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.184737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.184737 (E_RNA) where: Base-Base interactions energy: -32.020 where: short stacking energy: -31.728 Base-Backbone interact. energy: -0.000 local terms energy: -36.164573 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -4.579 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: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -46.304165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.304165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.304165 (E_RNA) where: Base-Base interactions energy: -21.350 where: short stacking energy: -19.099 Base-Backbone interact. energy: 1.347 local terms energy: -26.301872 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.186 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -49.533384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.533384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.533384 (E_RNA) where: Base-Base interactions energy: -18.117 where: short stacking energy: -16.214 Base-Backbone interact. energy: -0.005 local terms energy: -31.411444 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -48.647361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.647361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.647361 (E_RNA) where: Base-Base interactions energy: -21.949 where: short stacking energy: -21.949 Base-Backbone interact. energy: -0.001 local terms energy: -26.697160 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.550 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: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -42.079366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.079366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.079366 (E_RNA) where: Base-Base interactions energy: -12.648 where: short stacking energy: -12.484 Base-Backbone interact. energy: -0.261 local terms energy: -29.169921 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: 0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -39.494616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.494616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.494616 (E_RNA) where: Base-Base interactions energy: -16.403 where: short stacking energy: -10.902 Base-Backbone interact. energy: -0.028 local terms energy: -23.063540 where: bonds (distance) C4'-P energy: -5.532 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -5.053 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: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -39.681976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.681976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.681976 (E_RNA) where: Base-Base interactions energy: -13.000 where: short stacking energy: -11.426 Base-Backbone interact. energy: -0.040 local terms energy: -26.642075 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -3.449 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: 1, replica: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -68.193133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.193133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.193133 (E_RNA) where: Base-Base interactions energy: -32.072 where: short stacking energy: -25.673 Base-Backbone interact. energy: -0.000 local terms energy: -36.121096 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -56.776960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.776960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.776960 (E_RNA) where: Base-Base interactions energy: -23.035 where: short stacking energy: -23.035 Base-Backbone interact. energy: -0.000 local terms energy: -33.742305 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -6.277 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: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -62.795093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.795093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.795093 (E_RNA) where: Base-Base interactions energy: -25.417 where: short stacking energy: -25.417 Base-Backbone interact. energy: -0.000 local terms energy: -37.377633 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -6.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -59.903940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.903940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.903940 (E_RNA) where: Base-Base interactions energy: -31.341 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.383 local terms energy: -28.180181 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -53.045777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.045777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.045777 (E_RNA) where: Base-Base interactions energy: -20.633 where: short stacking energy: -20.633 Base-Backbone interact. energy: -0.001 local terms energy: -32.412285 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.756 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: 6, replica: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -47.741189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.741189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.741189 (E_RNA) where: Base-Base interactions energy: -19.068 where: short stacking energy: -19.068 Base-Backbone interact. energy: -0.006 local terms energy: -28.667909 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -53.841916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.841916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.841916 (E_RNA) where: Base-Base interactions energy: -23.964 where: short stacking energy: -14.109 Base-Backbone interact. energy: -0.198 local terms energy: -29.679854 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -6.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -54.646315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.646315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.646315 (E_RNA) where: Base-Base interactions energy: -20.328 where: short stacking energy: -20.328 Base-Backbone interact. energy: 0.642 local terms energy: -34.959468 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -42.437520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.437520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.437520 (E_RNA) where: Base-Base interactions energy: -17.765 where: short stacking energy: -17.765 Base-Backbone interact. energy: -0.058 local terms energy: -24.615195 where: bonds (distance) C4'-P energy: -1.726 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -2.057 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: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -46.975066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.975066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.975066 (E_RNA) where: Base-Base interactions energy: -22.970 where: short stacking energy: -16.106 Base-Backbone interact. energy: 0.555 local terms energy: -24.560110 where: bonds (distance) C4'-P energy: -3.166 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -63.026096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.026096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.026096 (E_RNA) where: Base-Base interactions energy: -27.956 where: short stacking energy: -27.956 Base-Backbone interact. energy: -0.001 local terms energy: -35.068961 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -5.293 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: 2, replica: 7 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -62.175699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.175699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.175699 (E_RNA) where: Base-Base interactions energy: -24.803 where: short stacking energy: -24.803 Base-Backbone interact. energy: -0.000 local terms energy: -37.372544 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -52.502526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.502526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.502526 (E_RNA) where: Base-Base interactions energy: -25.089 where: short stacking energy: -25.089 Base-Backbone interact. energy: -0.035 local terms energy: -27.378801 where: bonds (distance) C4'-P energy: -4.896 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -70.828461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.828461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.828461 (E_RNA) where: Base-Base interactions energy: -39.333 where: short stacking energy: -30.970 Base-Backbone interact. energy: -0.001 local terms energy: -31.494380 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -4.613 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: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -51.661387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.661387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.661387 (E_RNA) where: Base-Base interactions energy: -22.145 where: short stacking energy: -22.145 Base-Backbone interact. energy: -0.000 local terms energy: -29.516794 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -50.211012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.211012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.211012 (E_RNA) where: Base-Base interactions energy: -20.739 where: short stacking energy: -20.739 Base-Backbone interact. energy: -0.243 local terms energy: -29.228308 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -2.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -46.001959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.001959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.001959 (E_RNA) where: Base-Base interactions energy: -16.068 where: short stacking energy: -11.306 Base-Backbone interact. energy: -0.008 local terms energy: -29.925955 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -6.743 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: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -43.446653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.446653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.446653 (E_RNA) where: Base-Base interactions energy: -17.347 where: short stacking energy: -17.347 Base-Backbone interact. energy: -0.100 local terms energy: -26.000540 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -5.439 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: 0.344 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: 9, replica: 4 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -38.652585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.652585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.652585 (E_RNA) where: Base-Base interactions energy: -15.715 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.008 local terms energy: -22.929207 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.275 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: 2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -44.711820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.711820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.711820 (E_RNA) where: Base-Base interactions energy: -18.067 where: short stacking energy: -17.931 Base-Backbone interact. energy: -0.346 local terms energy: -26.299295 where: bonds (distance) C4'-P energy: -4.930 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -62.904616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.904616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.904616 (E_RNA) where: Base-Base interactions energy: -29.835 where: short stacking energy: -29.835 Base-Backbone interact. energy: -0.000 local terms energy: -33.069528 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.676 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -4.153 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: 2, replica: 9 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -52.874675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.874675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.874675 (E_RNA) where: Base-Base interactions energy: -24.700 where: short stacking energy: -24.700 Base-Backbone interact. energy: -0.001 local terms energy: -28.173101 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -62.059978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.059978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.059978 (E_RNA) where: Base-Base interactions energy: -23.373 where: short stacking energy: -23.045 Base-Backbone interact. energy: -0.089 local terms energy: -38.598084 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.576 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -7.343 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: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -48.294824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.294824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.294824 (E_RNA) where: Base-Base interactions energy: -16.374 where: short stacking energy: -12.841 Base-Backbone interact. energy: -0.008 local terms energy: -31.913326 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -1.833 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: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -56.052291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.052291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.052291 (E_RNA) where: Base-Base interactions energy: -22.736 where: short stacking energy: -15.384 Base-Backbone interact. energy: -0.000 local terms energy: -33.316206 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -6.840 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: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -47.787286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.787286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.787286 (E_RNA) where: Base-Base interactions energy: -21.602 where: short stacking energy: -18.061 Base-Backbone interact. energy: -0.007 local terms energy: -26.178874 where: bonds (distance) C4'-P energy: -5.043 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.602 flat angles P-C4'-P energy: -1.940 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -42.104444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.104444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.104444 (E_RNA) where: Base-Base interactions energy: -17.685 where: short stacking energy: -17.685 Base-Backbone interact. energy: -0.108 local terms energy: -24.311823 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -3.176 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -52.321427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.321427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.321427 (E_RNA) where: Base-Base interactions energy: -21.465 where: short stacking energy: -18.395 Base-Backbone interact. energy: -0.018 local terms energy: -30.838126 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -4.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -49.178010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.178010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.178010 (E_RNA) where: Base-Base interactions energy: -17.746 where: short stacking energy: -16.926 Base-Backbone interact. energy: -0.003 local terms energy: -31.429513 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -3.897 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: 10, replica: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -36.806621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806621 (E_RNA) where: Base-Base interactions energy: -12.973 where: short stacking energy: -7.006 Base-Backbone interact. energy: -0.007 local terms energy: -23.826756 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -0.633 tors. eta vs tors. theta energy: 1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -64.352871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.352871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.352871 (E_RNA) where: Base-Base interactions energy: -31.031 where: short stacking energy: -28.031 Base-Backbone interact. energy: 0.148 local terms energy: -33.469416 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -6.329 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: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -56.590265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.590265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.590265 (E_RNA) where: Base-Base interactions energy: -24.600 where: short stacking energy: -24.600 Base-Backbone interact. energy: -0.004 local terms energy: -31.985600 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -54.471120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.471120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.471120 (E_RNA) where: Base-Base interactions energy: -26.166 where: short stacking energy: -24.446 Base-Backbone interact. energy: -0.007 local terms energy: -28.298957 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -2.043 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: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -55.388745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.388745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.388745 (E_RNA) where: Base-Base interactions energy: -18.943 where: short stacking energy: -18.943 Base-Backbone interact. energy: -0.000 local terms energy: -36.446240 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -4.995 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: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -57.781869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.781869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.781869 (E_RNA) where: Base-Base interactions energy: -29.207 where: short stacking energy: -15.708 Base-Backbone interact. energy: -0.084 local terms energy: -28.490863 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -7.098 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -46.583983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.583983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.583983 (E_RNA) where: Base-Base interactions energy: -18.640 where: short stacking energy: -11.772 Base-Backbone interact. energy: -0.184 local terms energy: -27.760266 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -45.784419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.784419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.784419 (E_RNA) where: Base-Base interactions energy: -16.070 where: short stacking energy: -16.070 Base-Backbone interact. energy: -0.029 local terms energy: -29.685561 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -45.761941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.761941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.761941 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -13.842 Base-Backbone interact. energy: -0.001 local terms energy: -31.918889 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -6.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -46.681320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.681320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.681320 (E_RNA) where: Base-Base interactions energy: -23.004 where: short stacking energy: -22.368 Base-Backbone interact. energy: 0.335 local terms energy: -24.011892 where: bonds (distance) C4'-P energy: 1.283 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -3.240 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: 10, replica: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -41.017680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.017680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.017680 (E_RNA) where: Base-Base interactions energy: -12.519 where: short stacking energy: -12.519 Base-Backbone interact. energy: -0.007 local terms energy: -28.491702 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -68.203245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.203245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.203245 (E_RNA) where: Base-Base interactions energy: -31.767 where: short stacking energy: -31.767 Base-Backbone interact. energy: -0.001 local terms energy: -36.435234 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -8.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -56.636924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.636924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.636924 (E_RNA) where: Base-Base interactions energy: -24.708 where: short stacking energy: -22.041 Base-Backbone interact. energy: -0.117 local terms energy: -31.812088 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: -3.842 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: 471 Temperature: 1.000000 Total energy: -55.523073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.523073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.523073 (E_RNA) where: Base-Base interactions energy: -25.422 where: short stacking energy: -24.215 Base-Backbone interact. energy: -0.014 local terms energy: -30.087281 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -55.469519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.469519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.469519 (E_RNA) where: Base-Base interactions energy: -22.294 where: short stacking energy: -22.294 Base-Backbone interact. energy: -0.063 local terms energy: -33.111670 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -4.062 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: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -50.459977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.459977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.459977 (E_RNA) where: Base-Base interactions energy: -18.636 where: short stacking energy: -18.636 Base-Backbone interact. energy: -0.094 local terms energy: -31.729699 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -4.958 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: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -48.291034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.291034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.291034 (E_RNA) where: Base-Base interactions energy: -22.166 where: short stacking energy: -22.166 Base-Backbone interact. energy: 0.241 local terms energy: -26.365727 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.871 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -43.411652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.411652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.411652 (E_RNA) where: Base-Base interactions energy: -17.434 where: short stacking energy: -16.794 Base-Backbone interact. energy: -0.007 local terms energy: -25.971307 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -49.734822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.734822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.734822 (E_RNA) where: Base-Base interactions energy: -19.276 where: short stacking energy: -19.276 Base-Backbone interact. energy: -0.003 local terms energy: -30.456050 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -3.766 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: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -43.183883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.183883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.183883 (E_RNA) where: Base-Base interactions energy: -16.311 where: short stacking energy: -16.311 Base-Backbone interact. energy: -0.027 local terms energy: -26.846329 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -6.454 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: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -44.257875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.257875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.257875 (E_RNA) where: Base-Base interactions energy: -13.140 where: short stacking energy: -13.140 Base-Backbone interact. energy: -0.011 local terms energy: -31.106244 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -5.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -73.105175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.105175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.105175 (E_RNA) where: Base-Base interactions energy: -30.642 where: short stacking energy: -26.938 Base-Backbone interact. energy: -0.000 local terms energy: -42.463458 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.605 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -11.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -57.313364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.313364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.313364 (E_RNA) where: Base-Base interactions energy: -27.518 where: short stacking energy: -27.518 Base-Backbone interact. energy: -0.078 local terms energy: -29.717150 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -7.672 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -60.292362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.292362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.292362 (E_RNA) where: Base-Base interactions energy: -35.774 where: short stacking energy: -22.379 Base-Backbone interact. energy: -0.100 local terms energy: -24.418853 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -0.076 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -54.815428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.815428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.815428 (E_RNA) where: Base-Base interactions energy: -26.810 where: short stacking energy: -26.656 Base-Backbone interact. energy: -0.000 local terms energy: -28.005330 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -8.011 flat angles P-C4'-P energy: -2.695 tors. eta vs tors. theta energy: -5.835 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: 5, replica: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -49.305465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.305465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.305465 (E_RNA) where: Base-Base interactions energy: -26.792 where: short stacking energy: -14.691 Base-Backbone interact. energy: -0.037 local terms energy: -22.476657 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -3.881 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -50.891638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.891638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.891638 (E_RNA) where: Base-Base interactions energy: -21.491 where: short stacking energy: -14.052 Base-Backbone interact. energy: 0.123 local terms energy: -29.524126 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: 0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -42.100395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.100395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.100395 (E_RNA) where: Base-Base interactions energy: -13.362 where: short stacking energy: -13.362 Base-Backbone interact. energy: -0.197 local terms energy: -28.541856 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -2.084 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: 472 Temperature: 1.250000 Total energy: -45.766067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.766067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.766067 (E_RNA) where: Base-Base interactions energy: -20.570 where: short stacking energy: -20.570 Base-Backbone interact. energy: -0.100 local terms energy: -25.095790 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -43.822268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.822268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.822268 (E_RNA) where: Base-Base interactions energy: -13.089 where: short stacking energy: -13.089 Base-Backbone interact. energy: -0.009 local terms energy: -30.724434 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -3.494 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: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -39.701818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.701818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.701818 (E_RNA) where: Base-Base interactions energy: -16.979 where: short stacking energy: -16.979 Base-Backbone interact. energy: -0.032 local terms energy: -22.690403 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -3.242 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -73.570606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.570606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.570606 (E_RNA) where: Base-Base interactions energy: -37.937 where: short stacking energy: -37.937 Base-Backbone interact. energy: -0.000 local terms energy: -35.633920 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -3.983 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: 2, replica: 5 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -68.304009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.304009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.304009 (E_RNA) where: Base-Base interactions energy: -30.935 where: short stacking energy: -30.935 Base-Backbone interact. energy: -0.000 local terms energy: -37.368567 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.693 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -7.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -58.773113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.773113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.773113 (E_RNA) where: Base-Base interactions energy: -21.048 where: short stacking energy: -19.640 Base-Backbone interact. energy: -0.812 local terms energy: -36.912667 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -6.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -60.608469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.608469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.608469 (E_RNA) where: Base-Base interactions energy: -26.062 where: short stacking energy: -26.062 Base-Backbone interact. energy: -0.000 local terms energy: -34.546675 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -1.993 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: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -57.465733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.465733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.465733 (E_RNA) where: Base-Base interactions energy: -25.557 where: short stacking energy: -22.911 Base-Backbone interact. energy: -0.058 local terms energy: -31.851309 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -9.108 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -45.691066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.691066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.691066 (E_RNA) where: Base-Base interactions energy: -19.073 where: short stacking energy: -19.073 Base-Backbone interact. energy: -0.001 local terms energy: -26.616789 where: bonds (distance) C4'-P energy: -5.486 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -4.572 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: 7, replica: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -48.793429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.793429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.793429 (E_RNA) where: Base-Base interactions energy: -20.682 where: short stacking energy: -15.738 Base-Backbone interact. energy: -0.003 local terms energy: -28.108637 where: bonds (distance) C4'-P energy: -4.799 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -6.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -37.501976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.501976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.501976 (E_RNA) where: Base-Base interactions energy: -9.818 where: short stacking energy: -9.818 Base-Backbone interact. energy: -0.100 local terms energy: -27.583363 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -49.605923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.605923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.605923 (E_RNA) where: Base-Base interactions energy: -18.913 where: short stacking energy: -18.913 Base-Backbone interact. energy: -0.000 local terms energy: -30.692805 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -6.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -40.617729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.617729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.617729 (E_RNA) where: Base-Base interactions energy: -14.570 where: short stacking energy: -14.570 Base-Backbone interact. energy: -0.012 local terms energy: -26.035595 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -65.550608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.550608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.550608 (E_RNA) where: Base-Base interactions energy: -26.998 where: short stacking energy: -26.998 Base-Backbone interact. energy: -0.001 local terms energy: -38.551300 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -5.970 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: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -62.636927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.636927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.636927 (E_RNA) where: Base-Base interactions energy: -25.818 where: short stacking energy: -25.818 Base-Backbone interact. energy: -0.000 local terms energy: -36.818906 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -8.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -64.094892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.094892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.094892 (E_RNA) where: Base-Base interactions energy: -30.682 where: short stacking energy: -24.962 Base-Backbone interact. energy: -0.000 local terms energy: -33.412169 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -5.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -58.517348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.517348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.517348 (E_RNA) where: Base-Base interactions energy: -25.056 where: short stacking energy: -25.056 Base-Backbone interact. energy: -0.000 local terms energy: -33.461370 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -4.313 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: 5, replica: 3 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -50.764631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.764631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.764631 (E_RNA) where: Base-Base interactions energy: -25.247 where: short stacking energy: -16.351 Base-Backbone interact. energy: -0.037 local terms energy: -25.480636 where: bonds (distance) C4'-P energy: -3.577 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -55.283349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.283349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.283349 (E_RNA) where: Base-Base interactions energy: -21.035 where: short stacking energy: -21.035 Base-Backbone interact. energy: -0.021 local terms energy: -34.227866 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -6.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -40.786357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.786357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.786357 (E_RNA) where: Base-Base interactions energy: -12.300 where: short stacking energy: -12.300 Base-Backbone interact. energy: -0.160 local terms energy: -28.326774 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.977 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: 0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -43.793892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.793892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.793892 (E_RNA) where: Base-Base interactions energy: -15.574 where: short stacking energy: -15.574 Base-Backbone interact. energy: -0.073 local terms energy: -28.146743 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -1.855 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -4.417 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: 474 Temperature: 1.300000 Total energy: -52.058724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.058724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.058724 (E_RNA) where: Base-Base interactions energy: -21.223 where: short stacking energy: -21.223 Base-Backbone interact. energy: -0.000 local terms energy: -30.835220 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -50.670040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.670040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.670040 (E_RNA) where: Base-Base interactions energy: -21.954 where: short stacking energy: -14.779 Base-Backbone interact. energy: -0.000 local terms energy: -28.716139 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -3.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -56.279148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.279148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.279148 (E_RNA) where: Base-Base interactions energy: -20.550 where: short stacking energy: -20.550 Base-Backbone interact. energy: -0.031 local terms energy: -35.698512 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -62.944891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.944891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.944891 (E_RNA) where: Base-Base interactions energy: -25.574 where: short stacking energy: -25.574 Base-Backbone interact. energy: -0.000 local terms energy: -37.371211 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -6.157 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: 3, replica: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -53.497313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.497313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.497313 (E_RNA) where: Base-Base interactions energy: -17.166 where: short stacking energy: -17.166 Base-Backbone interact. energy: -0.000 local terms energy: -36.330585 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -5.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -61.618662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.618662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.618662 (E_RNA) where: Base-Base interactions energy: -33.810 where: short stacking energy: -25.282 Base-Backbone interact. energy: -0.003 local terms energy: -27.806396 where: bonds (distance) C4'-P energy: -7.053 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -5.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -55.681234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.681234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.681234 (E_RNA) where: Base-Base interactions energy: -24.517 where: short stacking energy: -24.517 Base-Backbone interact. energy: -0.001 local terms energy: -31.163423 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -5.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -48.132511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.132511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.132511 (E_RNA) where: Base-Base interactions energy: -24.135 where: short stacking energy: -11.675 Base-Backbone interact. energy: -0.001 local terms energy: -23.996002 where: bonds (distance) C4'-P energy: -7.406 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -1.195 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: 7, replica: 8 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -51.860269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.860269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.860269 (E_RNA) where: Base-Base interactions energy: -23.201 where: short stacking energy: -23.201 Base-Backbone interact. energy: -0.073 local terms energy: -28.585811 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -7.184 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -36.877872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.877872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.877872 (E_RNA) where: Base-Base interactions energy: -12.708 where: short stacking energy: -11.897 Base-Backbone interact. energy: -0.818 local terms energy: -23.351135 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -3.904 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: 9, replica: 2 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -41.025136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.025136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.025136 (E_RNA) where: Base-Base interactions energy: -11.370 where: short stacking energy: -11.370 Base-Backbone interact. energy: -0.093 local terms energy: -29.562123 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -4.135 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: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -49.118316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.118316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.118316 (E_RNA) where: Base-Base interactions energy: -22.536 where: short stacking energy: -18.719 Base-Backbone interact. energy: -0.199 local terms energy: -26.383499 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -5.320 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -4.450 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: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -65.133404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.133404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.133404 (E_RNA) where: Base-Base interactions energy: -31.273 where: short stacking energy: -21.247 Base-Backbone interact. energy: -0.054 local terms energy: -33.806906 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -9.358 flat angles P-C4'-P energy: -6.467 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: 2, replica: 5 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -66.790128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.790128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.790128 (E_RNA) where: Base-Base interactions energy: -35.738 where: short stacking energy: -24.336 Base-Backbone interact. energy: -0.006 local terms energy: -31.045341 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -62.423497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.423497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.423497 (E_RNA) where: Base-Base interactions energy: -34.326 where: short stacking energy: -16.604 Base-Backbone interact. energy: -0.006 local terms energy: -28.091622 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -5.797 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -52.574241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.574241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.574241 (E_RNA) where: Base-Base interactions energy: -22.259 where: short stacking energy: -16.937 Base-Backbone interact. energy: -0.216 local terms energy: -30.099064 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.280 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -4.720 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: 5, replica: 6 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -55.962774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.962774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.962774 (E_RNA) where: Base-Base interactions energy: -27.672 where: short stacking energy: -27.672 Base-Backbone interact. energy: -0.041 local terms energy: -28.249640 where: bonds (distance) C4'-P energy: -4.712 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.573 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: 6, replica: 9 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -55.584026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.584026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.584026 (E_RNA) where: Base-Base interactions energy: -23.019 where: short stacking energy: -16.568 Base-Backbone interact. energy: -0.369 local terms energy: -32.195915 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -46.939358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.939358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.939358 (E_RNA) where: Base-Base interactions energy: -18.011 where: short stacking energy: -18.011 Base-Backbone interact. energy: -0.000 local terms energy: -28.927672 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.395 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -44.518319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.518319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.518319 (E_RNA) where: Base-Base interactions energy: -18.729 where: short stacking energy: -18.722 Base-Backbone interact. energy: -0.192 local terms energy: -25.597426 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -4.176 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: 9, replica: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -38.588355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.588355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.588355 (E_RNA) where: Base-Base interactions energy: -13.240 where: short stacking energy: -12.096 Base-Backbone interact. energy: -0.001 local terms energy: -25.346892 where: bonds (distance) C4'-P energy: -4.364 bonds (distance) P-C4' energy: -4.122 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -43.252217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.252217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.252217 (E_RNA) where: Base-Base interactions energy: -18.922 where: short stacking energy: -18.922 Base-Backbone interact. energy: -0.091 local terms energy: -24.239208 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -5.711 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -1.546 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: 1, replica: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -62.139503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.139503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.139503 (E_RNA) where: Base-Base interactions energy: -25.266 where: short stacking energy: -25.266 Base-Backbone interact. energy: -0.000 local terms energy: -36.873596 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -9.131 flat angles P-C4'-P energy: -5.120 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: 2, replica: 3 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -75.963515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.963515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.963515 (E_RNA) where: Base-Base interactions energy: -41.810 where: short stacking energy: -28.740 Base-Backbone interact. energy: -0.000 local terms energy: -34.152955 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -7.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -58.455504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.455504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.455504 (E_RNA) where: Base-Base interactions energy: -29.643 where: short stacking energy: -12.952 Base-Backbone interact. energy: -0.158 local terms energy: -28.654537 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: 1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -59.206975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.206975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.206975 (E_RNA) where: Base-Base interactions energy: -23.299 where: short stacking energy: -23.299 Base-Backbone interact. energy: -0.002 local terms energy: -35.905559 where: bonds (distance) C4'-P energy: -7.159 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -4.918 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: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -60.433067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.433067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.433067 (E_RNA) where: Base-Base interactions energy: -26.216 where: short stacking energy: -25.786 Base-Backbone interact. energy: -0.015 local terms energy: -34.201970 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -6.408 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: 6, replica: 8 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -52.801728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.801728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.801728 (E_RNA) where: Base-Base interactions energy: -18.153 where: short stacking energy: -18.153 Base-Backbone interact. energy: -0.000 local terms energy: -34.648484 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -7.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -56.101392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.101392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.101392 (E_RNA) where: Base-Base interactions energy: -23.210 where: short stacking energy: -23.210 Base-Backbone interact. energy: -0.002 local terms energy: -32.889350 where: bonds (distance) C4'-P energy: -5.808 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -8.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -46.519381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.519381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.519381 (E_RNA) where: Base-Base interactions energy: -19.783 where: short stacking energy: -17.510 Base-Backbone interact. energy: -0.040 local terms energy: -26.696345 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -49.802672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.802672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.802672 (E_RNA) where: Base-Base interactions energy: -17.157 where: short stacking energy: -17.157 Base-Backbone interact. energy: -0.049 local terms energy: -32.597566 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -41.922324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.922324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.922324 (E_RNA) where: Base-Base interactions energy: -19.006 where: short stacking energy: -14.750 Base-Backbone interact. energy: -0.002 local terms energy: -22.914712 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -5.576 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: 1, replica: 3 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -82.815949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.815949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.815949 (E_RNA) where: Base-Base interactions energy: -46.576 where: short stacking energy: -34.357 Base-Backbone interact. energy: -0.001 local terms energy: -36.238840 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -6.571 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: 2, replica: 7 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -60.355007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.355007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.355007 (E_RNA) where: Base-Base interactions energy: -22.859 where: short stacking energy: -22.859 Base-Backbone interact. energy: -0.000 local terms energy: -37.495997 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -7.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -56.547000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.547000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.547000 (E_RNA) where: Base-Base interactions energy: -24.356 where: short stacking energy: -24.356 Base-Backbone interact. energy: -0.004 local terms energy: -32.187091 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -8.538 flat angles P-C4'-P energy: -5.406 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: 4, replica: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -46.862172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.862172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.862172 (E_RNA) where: Base-Base interactions energy: -18.592 where: short stacking energy: -14.839 Base-Backbone interact. energy: -0.195 local terms energy: -28.075346 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.674 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -52.925648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.925648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.925648 (E_RNA) where: Base-Base interactions energy: -20.000 where: short stacking energy: -20.000 Base-Backbone interact. energy: -0.000 local terms energy: -32.925961 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -2.404 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: 478 Temperature: 1.150000 Total energy: -55.204493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.204493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.204493 (E_RNA) where: Base-Base interactions energy: -20.233 where: short stacking energy: -20.233 Base-Backbone interact. energy: -0.070 local terms energy: -34.901302 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -43.766739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.766739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.766739 (E_RNA) where: Base-Base interactions energy: -15.457 where: short stacking energy: -15.068 Base-Backbone interact. energy: -0.048 local terms energy: -28.261551 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -5.226 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: 9 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -43.795482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.795482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.795482 (E_RNA) where: Base-Base interactions energy: -17.130 where: short stacking energy: -14.057 Base-Backbone interact. energy: -0.086 local terms energy: -26.579420 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -48.745145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.745145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.745145 (E_RNA) where: Base-Base interactions energy: -24.560 where: short stacking energy: -24.560 Base-Backbone interact. energy: -0.000 local terms energy: -24.185023 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -4.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -46.367007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.367007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.367007 (E_RNA) where: Base-Base interactions energy: -16.779 where: short stacking energy: -15.707 Base-Backbone interact. energy: -0.079 local terms energy: -29.508566 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -5.122 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: 3 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -64.860296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.860296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.860296 (E_RNA) where: Base-Base interactions energy: -34.586 where: short stacking energy: -21.455 Base-Backbone interact. energy: -0.098 local terms energy: -30.175813 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -6.724 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -60.596734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.596734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.596734 (E_RNA) where: Base-Base interactions energy: -24.989 where: short stacking energy: -19.211 Base-Backbone interact. energy: -0.000 local terms energy: -35.607602 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -5.047 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: 3, replica: 7 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -51.780305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.780305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.780305 (E_RNA) where: Base-Base interactions energy: -24.646 where: short stacking energy: -15.499 Base-Backbone interact. energy: -0.113 local terms energy: -27.020731 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -6.099 tors. eta vs tors. theta energy: 2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -49.443314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.443314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.443314 (E_RNA) where: Base-Base interactions energy: -17.793 where: short stacking energy: -17.793 Base-Backbone interact. energy: 0.208 local terms energy: -31.858175 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -62.166870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.166870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.166870 (E_RNA) where: Base-Base interactions energy: -30.630 where: short stacking energy: -20.600 Base-Backbone interact. energy: -0.042 local terms energy: -31.495082 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -43.585684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.585684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.585684 (E_RNA) where: Base-Base interactions energy: -15.598 where: short stacking energy: -11.955 Base-Backbone interact. energy: -0.037 local terms energy: -27.950370 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: 1.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -46.315418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.315418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.315418 (E_RNA) where: Base-Base interactions energy: -21.030 where: short stacking energy: -20.289 Base-Backbone interact. energy: -0.242 local terms energy: -25.042909 where: bonds (distance) C4'-P energy: -6.536 bonds (distance) P-C4' energy: -3.852 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -43.325808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.325808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.325808 (E_RNA) where: Base-Base interactions energy: -10.580 where: short stacking energy: -10.580 Base-Backbone interact. energy: -0.022 local terms energy: -32.723777 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -6.084 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: 9, replica: 9 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -49.314320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.314320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.314320 (E_RNA) where: Base-Base interactions energy: -20.533 where: short stacking energy: -20.533 Base-Backbone interact. energy: -0.000 local terms energy: -28.781623 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -42.682061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.682061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.682061 (E_RNA) where: Base-Base interactions energy: -17.295 where: short stacking energy: -17.395 Base-Backbone interact. energy: -0.020 local terms energy: -25.367243 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -3.185 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -4.023 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: 480 Temperature: 0.900000 Total energy: -60.945014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.945014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.945014 (E_RNA) where: Base-Base interactions energy: -26.876 where: short stacking energy: -22.542 Base-Backbone interact. energy: -0.049 local terms energy: -34.019456 where: bonds (distance) C4'-P energy: -5.952 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -6.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -56.977037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.977037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.977037 (E_RNA) where: Base-Base interactions energy: -21.204 where: short stacking energy: -21.204 Base-Backbone interact. energy: -0.001 local terms energy: -35.772483 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -61.678038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.678038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.678038 (E_RNA) where: Base-Base interactions energy: -26.121 where: short stacking energy: -26.121 Base-Backbone interact. energy: -0.000 local terms energy: -35.557090 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.188 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -5.584 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: 4, replica: 1 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -52.956178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.956178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.956178 (E_RNA) where: Base-Base interactions energy: -22.162 where: short stacking energy: -22.162 Base-Backbone interact. energy: -0.099 local terms energy: -30.694394 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -51.890067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.890067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.890067 (E_RNA) where: Base-Base interactions energy: -23.646 where: short stacking energy: -23.646 Base-Backbone interact. energy: -0.005 local terms energy: -28.239999 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -5.404 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -5.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -50.148935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.148935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.148935 (E_RNA) where: Base-Base interactions energy: -21.191 where: short stacking energy: -20.355 Base-Backbone interact. energy: -0.078 local terms energy: -28.879827 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -49.768387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.768387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.768387 (E_RNA) where: Base-Base interactions energy: -19.037 where: short stacking energy: -17.201 Base-Backbone interact. energy: -0.012 local terms energy: -30.718730 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.604 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -3.165 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: 8, replica: 8 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -42.476304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.476304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.476304 (E_RNA) where: Base-Base interactions energy: -17.185 where: short stacking energy: -15.636 Base-Backbone interact. energy: -0.073 local terms energy: -25.217845 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.169 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: 9, replica: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -46.786031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.786031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.786031 (E_RNA) where: Base-Base interactions energy: -14.822 where: short stacking energy: -14.822 Base-Backbone interact. energy: -0.000 local terms energy: -31.963713 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -5.643 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: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -49.343605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.343605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.343605 (E_RNA) where: Base-Base interactions energy: -16.303 where: short stacking energy: -16.303 Base-Backbone interact. energy: -0.085 local terms energy: -32.955317 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.679 flat angles C4'-P-C4' energy: -8.719 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -67.948158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.948158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.948158 (E_RNA) where: Base-Base interactions energy: -32.900 where: short stacking energy: -32.900 Base-Backbone interact. energy: -0.000 local terms energy: -35.048323 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -8.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -59.362716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.362716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.362716 (E_RNA) where: Base-Base interactions energy: -25.117 where: short stacking energy: -25.117 Base-Backbone interact. energy: -0.000 local terms energy: -34.245736 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -61.042278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.042278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.042278 (E_RNA) where: Base-Base interactions energy: -22.783 where: short stacking energy: -22.783 Base-Backbone interact. energy: -0.000 local terms energy: -38.259520 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.808 flat angles P-C4'-P energy: -6.843 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: 4 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -61.819502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.819502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.819502 (E_RNA) where: Base-Base interactions energy: -28.015 where: short stacking energy: -17.439 Base-Backbone interact. energy: -0.374 local terms energy: -33.431011 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -47.585551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.585551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.585551 (E_RNA) where: Base-Base interactions energy: -18.748 where: short stacking energy: -18.748 Base-Backbone interact. energy: -0.050 local terms energy: -28.786883 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -55.275854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.275854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.275854 (E_RNA) where: Base-Base interactions energy: -22.220 where: short stacking energy: -18.031 Base-Backbone interact. energy: -0.061 local terms energy: -32.994632 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -9.211 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -54.934539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.934539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.934539 (E_RNA) where: Base-Base interactions energy: -18.077 where: short stacking energy: -18.077 Base-Backbone interact. energy: -0.003 local terms energy: -36.853667 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -5.366 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: 8, replica: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -53.921711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.921711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.921711 (E_RNA) where: Base-Base interactions energy: -24.804 where: short stacking energy: -24.804 Base-Backbone interact. energy: -0.008 local terms energy: -29.109837 where: bonds (distance) C4'-P energy: -4.616 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.250 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: 9, replica: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -42.579759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.579759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.579759 (E_RNA) where: Base-Base interactions energy: -13.066 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.701 local terms energy: -28.813170 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -49.501920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.501920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.501920 (E_RNA) where: Base-Base interactions energy: -24.794 where: short stacking energy: -21.993 Base-Backbone interact. energy: -0.048 local terms energy: -24.659582 where: bonds (distance) C4'-P energy: -2.012 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -71.321392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.321392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.321392 (E_RNA) where: Base-Base interactions energy: -31.847 where: short stacking energy: -29.712 Base-Backbone interact. energy: -0.002 local terms energy: -39.472854 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -6.539 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: 3 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -63.992962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.992962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.992962 (E_RNA) where: Base-Base interactions energy: -29.045 where: short stacking energy: -29.045 Base-Backbone interact. energy: -0.000 local terms energy: -34.947468 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -5.781 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: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -64.853713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.853713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.853713 (E_RNA) where: Base-Base interactions energy: -31.184 where: short stacking energy: -31.184 Base-Backbone interact. energy: -0.002 local terms energy: -33.667063 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.826 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: 7 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -50.909158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.909158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.909158 (E_RNA) where: Base-Base interactions energy: -17.865 where: short stacking energy: -17.865 Base-Backbone interact. energy: -0.009 local terms energy: -33.034264 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -45.918897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.918897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.918897 (E_RNA) where: Base-Base interactions energy: -18.976 where: short stacking energy: -18.976 Base-Backbone interact. energy: -0.036 local terms energy: -26.906730 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -2.261 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: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -51.027778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.027778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.027778 (E_RNA) where: Base-Base interactions energy: -22.018 where: short stacking energy: -22.018 Base-Backbone interact. energy: -0.000 local terms energy: -29.009239 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -4.687 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -3.671 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: 7, replica: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -52.283643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.283643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.283643 (E_RNA) where: Base-Base interactions energy: -22.056 where: short stacking energy: -22.056 Base-Backbone interact. energy: -0.001 local terms energy: -30.226291 where: bonds (distance) C4'-P energy: -7.397 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -48.665311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.665311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.665311 (E_RNA) where: Base-Base interactions energy: -19.511 where: short stacking energy: -19.511 Base-Backbone interact. energy: -0.016 local terms energy: -29.137697 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -45.767006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.767006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.767006 (E_RNA) where: Base-Base interactions energy: -15.756 where: short stacking energy: -15.756 Base-Backbone interact. energy: -0.008 local terms energy: -30.003370 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -5.682 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -3.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -39.645979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.645979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.645979 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -10.743 Base-Backbone interact. energy: -0.017 local terms energy: -28.886093 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -71.400782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.400782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.400782 (E_RNA) where: Base-Base interactions energy: -30.130 where: short stacking energy: -30.130 Base-Backbone interact. energy: -0.000 local terms energy: -41.270524 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -10.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -64.565643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.565643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.565643 (E_RNA) where: Base-Base interactions energy: -29.826 where: short stacking energy: -24.197 Base-Backbone interact. energy: -0.218 local terms energy: -34.521600 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -7.150 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: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -68.324369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.324369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.324369 (E_RNA) where: Base-Base interactions energy: -39.990 where: short stacking energy: -22.971 Base-Backbone interact. energy: -0.002 local terms energy: -28.332835 where: bonds (distance) C4'-P energy: -4.780 bonds (distance) P-C4' energy: -6.779 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -52.190051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.190051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.190051 (E_RNA) where: Base-Base interactions energy: -20.415 where: short stacking energy: -20.415 Base-Backbone interact. energy: -0.058 local terms energy: -31.716652 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -52.863763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.863763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.863763 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -32.982779 where: bonds (distance) C4'-P energy: -6.669 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -5.696 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: 6, replica: 2 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -58.592844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.592844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.592844 (E_RNA) where: Base-Base interactions energy: -27.909 where: short stacking energy: -23.104 Base-Backbone interact. energy: -0.000 local terms energy: -30.683561 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -48.093980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.093980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.093980 (E_RNA) where: Base-Base interactions energy: -18.940 where: short stacking energy: -18.940 Base-Backbone interact. energy: -0.001 local terms energy: -29.152962 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -48.531755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.531755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.531755 (E_RNA) where: Base-Base interactions energy: -19.935 where: short stacking energy: -13.161 Base-Backbone interact. energy: -0.187 local terms energy: -28.409641 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -4.336 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) ================================== temp. level: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -40.876334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.876334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.876334 (E_RNA) where: Base-Base interactions energy: -16.156 where: short stacking energy: -15.515 Base-Backbone interact. energy: -0.007 local terms energy: -24.713290 where: bonds (distance) C4'-P energy: -4.712 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -42.147762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.147762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.147762 (E_RNA) where: Base-Base interactions energy: -16.035 where: short stacking energy: -12.488 Base-Backbone interact. energy: -0.051 local terms energy: -26.061886 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -67.821669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.821669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.821669 (E_RNA) where: Base-Base interactions energy: -28.751 where: short stacking energy: -28.527 Base-Backbone interact. energy: -0.000 local terms energy: -39.070654 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: -9.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -69.879654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.879654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.879654 (E_RNA) where: Base-Base interactions energy: -32.916 where: short stacking energy: -32.916 Base-Backbone interact. energy: -0.000 local terms energy: -36.964051 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -5.152 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: 3, replica: 10 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -54.625051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.625051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.625051 (E_RNA) where: Base-Base interactions energy: -23.843 where: short stacking energy: -23.843 Base-Backbone interact. energy: -0.003 local terms energy: -30.778727 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -54.208984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.208984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.208984 (E_RNA) where: Base-Base interactions energy: -23.069 where: short stacking energy: -15.290 Base-Backbone interact. energy: -0.885 local terms energy: -30.254995 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -47.247256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.247256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.247256 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.108 local terms energy: -26.887920 where: bonds (distance) C4'-P energy: -2.888 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -48.613399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.613399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.613399 (E_RNA) where: Base-Base interactions energy: -20.438 where: short stacking energy: -15.415 Base-Backbone interact. energy: 0.620 local terms energy: -28.794819 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -4.885 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: 7, replica: 1 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -44.207895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.207895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.207895 (E_RNA) where: Base-Base interactions energy: -15.306 where: short stacking energy: -15.306 Base-Backbone interact. energy: -0.148 local terms energy: -28.753688 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -0.072 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: 484 Temperature: 1.250000 Total energy: -43.727231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.727231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.727231 (E_RNA) where: Base-Base interactions energy: -13.258 where: short stacking energy: -13.258 Base-Backbone interact. energy: -0.000 local terms energy: -30.468937 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -51.560571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.560571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.560571 (E_RNA) where: Base-Base interactions energy: -18.068 where: short stacking energy: -17.826 Base-Backbone interact. energy: -0.002 local terms energy: -33.491044 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -6.688 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: 10, replica: 5 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -46.457975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.457975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.457975 (E_RNA) where: Base-Base interactions energy: -20.699 where: short stacking energy: -10.870 Base-Backbone interact. energy: -0.281 local terms energy: -25.477958 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: 0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -65.098347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.098347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.098347 (E_RNA) where: Base-Base interactions energy: -28.045 where: short stacking energy: -28.045 Base-Backbone interact. energy: -0.000 local terms energy: -37.052891 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -61.036142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.036142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.036142 (E_RNA) where: Base-Base interactions energy: -28.849 where: short stacking energy: -28.849 Base-Backbone interact. energy: -0.000 local terms energy: -32.187407 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -6.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -73.497393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.497393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.497393 (E_RNA) where: Base-Base interactions energy: -38.793 where: short stacking energy: -27.740 Base-Backbone interact. energy: -0.003 local terms energy: -34.701605 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -5.577 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: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -69.509592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.509592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.509592 (E_RNA) where: Base-Base interactions energy: -33.723 where: short stacking energy: -24.540 Base-Backbone interact. energy: -0.066 local terms energy: -35.720512 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -7.606 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: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -55.519294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.519294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.519294 (E_RNA) where: Base-Base interactions energy: -24.259 where: short stacking energy: -14.673 Base-Backbone interact. energy: -0.001 local terms energy: -31.259190 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.895 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -48.076551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.076551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.076551 (E_RNA) where: Base-Base interactions energy: -17.109 where: short stacking energy: -17.109 Base-Backbone interact. energy: -0.009 local terms energy: -30.958364 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -4.503 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: 7, replica: 7 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -48.258243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.258243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.258243 (E_RNA) where: Base-Base interactions energy: -16.240 where: short stacking energy: -13.353 Base-Backbone interact. energy: -0.002 local terms energy: -32.016256 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -2.857 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: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -47.117140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.117140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.117140 (E_RNA) where: Base-Base interactions energy: -13.859 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.035 local terms energy: -33.223686 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -43.613459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.613459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.613459 (E_RNA) where: Base-Base interactions energy: -14.309 where: short stacking energy: -14.309 Base-Backbone interact. energy: -0.000 local terms energy: -29.304323 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -41.532924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.532924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.532924 (E_RNA) where: Base-Base interactions energy: -17.131 where: short stacking energy: -17.131 Base-Backbone interact. energy: -0.100 local terms energy: -24.301933 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -4.696 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -64.159725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.159725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.159725 (E_RNA) where: Base-Base interactions energy: -24.718 where: short stacking energy: -24.718 Base-Backbone interact. energy: -0.001 local terms energy: -39.441443 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -7.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -64.788889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.788889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.788889 (E_RNA) where: Base-Base interactions energy: -27.026 where: short stacking energy: -27.026 Base-Backbone interact. energy: -0.000 local terms energy: -37.763160 where: bonds (distance) C4'-P energy: -7.840 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -59.194616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.194616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.194616 (E_RNA) where: Base-Base interactions energy: -25.637 where: short stacking energy: -25.637 Base-Backbone interact. energy: 0.178 local terms energy: -33.735528 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -7.652 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: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -52.933300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.933300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.933300 (E_RNA) where: Base-Base interactions energy: -26.626 where: short stacking energy: -19.251 Base-Backbone interact. energy: -0.060 local terms energy: -26.247169 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -7.480 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -1.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -50.522834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.522834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.522834 (E_RNA) where: Base-Base interactions energy: -20.150 where: short stacking energy: -20.150 Base-Backbone interact. energy: -0.028 local terms energy: -30.345602 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -48.328748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.328748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.328748 (E_RNA) where: Base-Base interactions energy: -15.442 where: short stacking energy: -15.442 Base-Backbone interact. energy: -0.081 local terms energy: -32.805725 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -49.927598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.927598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.927598 (E_RNA) where: Base-Base interactions energy: -25.475 where: short stacking energy: -25.475 Base-Backbone interact. energy: -0.063 local terms energy: -24.389278 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: 1.820 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -46.369500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.369500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.369500 (E_RNA) where: Base-Base interactions energy: -18.879 where: short stacking energy: -18.879 Base-Backbone interact. energy: -0.151 local terms energy: -27.338728 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -47.947770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.947770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.947770 (E_RNA) where: Base-Base interactions energy: -17.697 where: short stacking energy: -17.697 Base-Backbone interact. energy: -0.010 local terms energy: -30.240765 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -37.310334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.310334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.310334 (E_RNA) where: Base-Base interactions energy: -7.617 where: short stacking energy: -6.548 Base-Backbone interact. energy: -0.136 local terms energy: -29.556801 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -65.162740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.162740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.162740 (E_RNA) where: Base-Base interactions energy: -29.265 where: short stacking energy: -29.265 Base-Backbone interact. energy: -0.001 local terms energy: -35.896496 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -6.216 tors. eta vs tors. theta energy: -6.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -67.232576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.232576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.232576 (E_RNA) where: Base-Base interactions energy: -31.640 where: short stacking energy: -31.640 Base-Backbone interact. energy: -0.000 local terms energy: -35.592671 where: bonds (distance) C4'-P energy: -5.593 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -5.040 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: 3, replica: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -53.147797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.147797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.147797 (E_RNA) where: Base-Base interactions energy: -25.291 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.431 local terms energy: -27.425606 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.827 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -54.837363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.837363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.837363 (E_RNA) where: Base-Base interactions energy: -25.882 where: short stacking energy: -25.882 Base-Backbone interact. energy: -0.001 local terms energy: -28.954535 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -4.099 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -5.489 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: 5, replica: 6 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -53.290349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.290349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.290349 (E_RNA) where: Base-Base interactions energy: -21.209 where: short stacking energy: -21.209 Base-Backbone interact. energy: -0.082 local terms energy: -31.998917 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -5.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -50.057464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.057464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.057464 (E_RNA) where: Base-Base interactions energy: -21.961 where: short stacking energy: -15.124 Base-Backbone interact. energy: -0.169 local terms energy: -27.927861 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -40.282484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.282484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.282484 (E_RNA) where: Base-Base interactions energy: -12.789 where: short stacking energy: -12.789 Base-Backbone interact. energy: -0.477 local terms energy: -27.016457 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: 0.523 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: 487 Temperature: 1.250000 Total energy: -52.136776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.136776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.136776 (E_RNA) where: Base-Base interactions energy: -21.712 where: short stacking energy: -21.129 Base-Backbone interact. energy: -0.001 local terms energy: -30.423187 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -47.890113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.890113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.890113 (E_RNA) where: Base-Base interactions energy: -22.141 where: short stacking energy: -15.732 Base-Backbone interact. energy: -0.260 local terms energy: -25.488494 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: 0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -44.411017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.411017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.411017 (E_RNA) where: Base-Base interactions energy: -14.942 where: short stacking energy: -10.600 Base-Backbone interact. energy: -0.000 local terms energy: -29.469067 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -65.831706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.831706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.831706 (E_RNA) where: Base-Base interactions energy: -26.933 where: short stacking energy: -26.933 Base-Backbone interact. energy: -0.000 local terms energy: -38.898313 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -7.723 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: 2, replica: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -66.513546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.513546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.513546 (E_RNA) where: Base-Base interactions energy: -26.580 where: short stacking energy: -26.580 Base-Backbone interact. energy: -0.000 local terms energy: -39.933368 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.253 flat angles P-C4'-P energy: -4.522 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: 3, replica: 1 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -60.545940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.545940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.545940 (E_RNA) where: Base-Base interactions energy: -26.324 where: short stacking energy: -26.324 Base-Backbone interact. energy: -0.000 local terms energy: -34.222225 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -5.453 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: 4, replica: 10 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -50.282018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.282018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.282018 (E_RNA) where: Base-Base interactions energy: -21.338 where: short stacking energy: -21.338 Base-Backbone interact. energy: -0.000 local terms energy: -28.943455 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -7.769 flat angles C4'-P-C4' energy: -3.685 flat angles P-C4'-P energy: -3.517 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: 6 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -56.724457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.724457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.724457 (E_RNA) where: Base-Base interactions energy: -34.376 where: short stacking energy: -8.325 Base-Backbone interact. energy: 2.259 local terms energy: -24.607911 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -1.974 tors. eta vs tors. theta energy: 0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -55.853253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.853253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.853253 (E_RNA) where: Base-Base interactions energy: -21.889 where: short stacking energy: -21.889 Base-Backbone interact. energy: -0.072 local terms energy: -33.891829 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: -7.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -53.545068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.545068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.545068 (E_RNA) where: Base-Base interactions energy: -21.968 where: short stacking energy: -21.968 Base-Backbone interact. energy: -0.000 local terms energy: -31.576600 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -5.383 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: 8, replica: 3 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -51.974073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.974073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.974073 (E_RNA) where: Base-Base interactions energy: -17.711 where: short stacking energy: -17.711 Base-Backbone interact. energy: -0.005 local terms energy: -34.257887 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -4.961 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: 9, replica: 8 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -39.547031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.547031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.547031 (E_RNA) where: Base-Base interactions energy: -9.836 where: short stacking energy: -9.836 Base-Backbone interact. energy: -0.280 local terms energy: -29.431240 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.089 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -48.180262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.180262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.180262 (E_RNA) where: Base-Base interactions energy: -24.083 where: short stacking energy: -23.009 Base-Backbone interact. energy: -0.053 local terms energy: -24.044159 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -63.180985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.180985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.180985 (E_RNA) where: Base-Base interactions energy: -27.973 where: short stacking energy: -27.973 Base-Backbone interact. energy: -0.000 local terms energy: -35.208397 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -7.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -61.323229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.323229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.323229 (E_RNA) where: Base-Base interactions energy: -26.562 where: short stacking energy: -26.562 Base-Backbone interact. energy: -0.041 local terms energy: -34.719935 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.124 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: 3, replica: 1 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -50.654869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.654869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.654869 (E_RNA) where: Base-Base interactions energy: -17.074 where: short stacking energy: -17.074 Base-Backbone interact. energy: -0.105 local terms energy: -33.476253 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -5.256 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: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -54.944592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.944592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.944592 (E_RNA) where: Base-Base interactions energy: -26.790 where: short stacking energy: -20.547 Base-Backbone interact. energy: -0.118 local terms energy: -28.037064 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -5.797 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -2.728 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: 10 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -55.181289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.181289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.181289 (E_RNA) where: Base-Base interactions energy: -22.522 where: short stacking energy: -21.902 Base-Backbone interact. energy: -0.017 local terms energy: -32.642300 where: bonds (distance) C4'-P energy: -3.263 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -6.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -52.123431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.123431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.123431 (E_RNA) where: Base-Base interactions energy: -27.160 where: short stacking energy: -11.653 Base-Backbone interact. energy: -0.111 local terms energy: -24.852824 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: 0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -51.397217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.397217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.397217 (E_RNA) where: Base-Base interactions energy: -22.933 where: short stacking energy: -13.225 Base-Backbone interact. energy: -0.671 local terms energy: -27.792270 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -4.646 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: 8, replica: 8 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -41.432909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.432909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.432909 (E_RNA) where: Base-Base interactions energy: -19.576 where: short stacking energy: -19.576 Base-Backbone interact. energy: -0.001 local terms energy: -21.855416 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -46.393295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.393295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.393295 (E_RNA) where: Base-Base interactions energy: -17.579 where: short stacking energy: -17.043 Base-Backbone interact. energy: -0.000 local terms energy: -28.813851 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -38.637314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.637314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.637314 (E_RNA) where: Base-Base interactions energy: -15.508 where: short stacking energy: -15.508 Base-Backbone interact. energy: -0.061 local terms energy: -23.068535 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -65.074067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.074067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.074067 (E_RNA) where: Base-Base interactions energy: -28.314 where: short stacking energy: -27.086 Base-Backbone interact. energy: -0.000 local terms energy: -36.759674 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -6.817 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: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -64.848511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.848511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.848511 (E_RNA) where: Base-Base interactions energy: -28.797 where: short stacking energy: -28.797 Base-Backbone interact. energy: -0.000 local terms energy: -36.051322 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.809 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -7.516 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: 490 Temperature: 1.000000 Total energy: -58.067451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.067451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.067451 (E_RNA) where: Base-Base interactions energy: -23.423 where: short stacking energy: -23.423 Base-Backbone interact. energy: -0.013 local terms energy: -34.631407 where: bonds (distance) C4'-P energy: -7.050 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -52.785868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.785868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.785868 (E_RNA) where: Base-Base interactions energy: -21.351 where: short stacking energy: -20.273 Base-Backbone interact. energy: -0.001 local terms energy: -31.434525 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -50.449776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.449776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.449776 (E_RNA) where: Base-Base interactions energy: -19.329 where: short stacking energy: -19.829 Base-Backbone interact. energy: 0.293 local terms energy: -31.413881 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.078 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -57.481993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.481993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.481993 (E_RNA) where: Base-Base interactions energy: -25.557 where: short stacking energy: -25.557 Base-Backbone interact. energy: -0.007 local terms energy: -31.918402 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -6.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -52.516361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.516361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.516361 (E_RNA) where: Base-Base interactions energy: -27.666 where: short stacking energy: -16.928 Base-Backbone interact. energy: -0.021 local terms energy: -24.828778 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -37.355973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.355973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.355973 (E_RNA) where: Base-Base interactions energy: -15.101 where: short stacking energy: -15.101 Base-Backbone interact. energy: -0.067 local terms energy: -22.188344 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -2.375 flat angles P-C4'-P energy: -4.255 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: 9, replica: 7 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -39.417431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.417431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.417431 (E_RNA) where: Base-Base interactions energy: -14.743 where: short stacking energy: -13.479 Base-Backbone interact. energy: -0.082 local terms energy: -24.592528 where: bonds (distance) C4'-P energy: -6.849 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -2.040 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -45.523487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.523487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.523487 (E_RNA) where: Base-Base interactions energy: -19.578 where: short stacking energy: -15.028 Base-Backbone interact. energy: -0.085 local terms energy: -25.860604 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -4.121 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: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -60.137294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.137294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.137294 (E_RNA) where: Base-Base interactions energy: -25.509 where: short stacking energy: -25.509 Base-Backbone interact. energy: -0.099 local terms energy: -34.529065 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -60.770531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.770531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.770531 (E_RNA) where: Base-Base interactions energy: -28.480 where: short stacking energy: -22.173 Base-Backbone interact. energy: -0.008 local terms energy: -32.282707 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -1.425 tors. eta vs tors. theta energy: -6.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -62.670003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.670003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.670003 (E_RNA) where: Base-Base interactions energy: -28.504 where: short stacking energy: -23.627 Base-Backbone interact. energy: -0.000 local terms energy: -34.165346 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.281 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -5.059 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: 4, replica: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -60.068095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.068095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.068095 (E_RNA) where: Base-Base interactions energy: -35.624 where: short stacking energy: -20.071 Base-Backbone interact. energy: 0.691 local terms energy: -25.135006 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -7.284 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -1.770 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: 5, replica: 6 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -48.113429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.113429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.113429 (E_RNA) where: Base-Base interactions energy: -19.439 where: short stacking energy: -19.439 Base-Backbone interact. energy: -0.006 local terms energy: -28.668345 where: bonds (distance) C4'-P energy: -6.759 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -2.906 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: 8 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -49.822473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.822473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.822473 (E_RNA) where: Base-Base interactions energy: -21.267 where: short stacking energy: -21.267 Base-Backbone interact. energy: -0.001 local terms energy: -28.554705 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -3.357 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: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -55.614640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.614640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.614640 (E_RNA) where: Base-Base interactions energy: -27.204 where: short stacking energy: -20.350 Base-Backbone interact. energy: -0.028 local terms energy: -28.382897 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -47.507049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.507049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.507049 (E_RNA) where: Base-Base interactions energy: -22.470 where: short stacking energy: -14.408 Base-Backbone interact. energy: -0.162 local terms energy: -24.875034 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -3.446 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: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -46.743884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.743884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.743884 (E_RNA) where: Base-Base interactions energy: -16.697 where: short stacking energy: -16.697 Base-Backbone interact. energy: -0.001 local terms energy: -30.045521 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -41.317222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.317222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.317222 (E_RNA) where: Base-Base interactions energy: -15.841 where: short stacking energy: -15.841 Base-Backbone interact. energy: -0.004 local terms energy: -25.472749 where: bonds (distance) C4'-P energy: -5.162 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -8.805 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: 0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -68.324871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.324871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.324871 (E_RNA) where: Base-Base interactions energy: -30.128 where: short stacking energy: -28.647 Base-Backbone interact. energy: -0.171 local terms energy: -38.026250 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -5.928 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: 2, replica: 4 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -50.404042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.404042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.404042 (E_RNA) where: Base-Base interactions energy: -17.933 where: short stacking energy: -17.933 Base-Backbone interact. energy: -0.337 local terms energy: -32.133791 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -6.768 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: 3, replica: 5 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -53.167118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.167118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.167118 (E_RNA) where: Base-Base interactions energy: -19.441 where: short stacking energy: -18.344 Base-Backbone interact. energy: -0.067 local terms energy: -33.658366 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -6.753 tors. eta vs tors. theta energy: -6.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -54.977544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.977544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.977544 (E_RNA) where: Base-Base interactions energy: -21.840 where: short stacking energy: -20.486 Base-Backbone interact. energy: -0.100 local terms energy: -33.037349 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -49.484891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.484891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.484891 (E_RNA) where: Base-Base interactions energy: -17.101 where: short stacking energy: -17.101 Base-Backbone interact. energy: -0.062 local terms energy: -32.322023 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -6.941 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -50.553095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.553095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.553095 (E_RNA) where: Base-Base interactions energy: -20.299 where: short stacking energy: -20.299 Base-Backbone interact. energy: -0.004 local terms energy: -30.250357 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -6.086 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: 7, replica: 7 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -48.992465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.992465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.992465 (E_RNA) where: Base-Base interactions energy: -16.982 where: short stacking energy: -16.982 Base-Backbone interact. energy: -0.095 local terms energy: -31.915745 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -3.929 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: 8, replica: 10 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -47.229841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.229841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.229841 (E_RNA) where: Base-Base interactions energy: -17.963 where: short stacking energy: -12.914 Base-Backbone interact. energy: -0.084 local terms energy: -29.182326 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -4.201 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: 9, replica: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -49.253373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.253373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.253373 (E_RNA) where: Base-Base interactions energy: -21.476 where: short stacking energy: -21.476 Base-Backbone interact. energy: -0.003 local terms energy: -27.774502 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -39.749534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.749534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.749534 (E_RNA) where: Base-Base interactions energy: -17.246 where: short stacking energy: -17.246 Base-Backbone interact. energy: 3.492 local terms energy: -25.995528 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -4.356 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: 1, replica: 1 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -57.615074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.615074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.615074 (E_RNA) where: Base-Base interactions energy: -24.215 where: short stacking energy: -21.851 Base-Backbone interact. energy: 0.147 local terms energy: -33.546739 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -48.523001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.523001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.523001 (E_RNA) where: Base-Base interactions energy: -17.513 where: short stacking energy: -17.513 Base-Backbone interact. energy: 0.521 local terms energy: -31.531009 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -5.369 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: 3, replica: 4 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -65.671578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.671578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.671578 (E_RNA) where: Base-Base interactions energy: -35.098 where: short stacking energy: -23.880 Base-Backbone interact. energy: -0.026 local terms energy: -30.547395 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -5.392 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: 4, replica: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -50.637124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.637124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.637124 (E_RNA) where: Base-Base interactions energy: -19.052 where: short stacking energy: -19.052 Base-Backbone interact. energy: -0.001 local terms energy: -31.585015 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -6.507 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: 5, replica: 2 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -44.618017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.618017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.618017 (E_RNA) where: Base-Base interactions energy: -16.308 where: short stacking energy: -16.308 Base-Backbone interact. energy: -0.115 local terms energy: -28.194793 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.213 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -45.692558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.692558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.692558 (E_RNA) where: Base-Base interactions energy: -22.894 where: short stacking energy: -16.970 Base-Backbone interact. energy: -0.257 local terms energy: -22.540824 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -4.922 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: 7, replica: 6 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -40.026333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.026333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.026333 (E_RNA) where: Base-Base interactions energy: -13.654 where: short stacking energy: -11.873 Base-Backbone interact. energy: -0.012 local terms energy: -26.360230 where: bonds (distance) C4'-P energy: -7.062 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -45.661991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.661991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.661991 (E_RNA) where: Base-Base interactions energy: -24.555 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.091 local terms energy: -21.015886 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: 1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -45.692585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.692585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.692585 (E_RNA) where: Base-Base interactions energy: -17.653 where: short stacking energy: -8.115 Base-Backbone interact. energy: -0.099 local terms energy: -27.941279 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -6.792 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: 10, replica: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -43.638527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.638527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.638527 (E_RNA) where: Base-Base interactions energy: -13.687 where: short stacking energy: -13.687 Base-Backbone interact. energy: -0.039 local terms energy: -29.912744 where: bonds (distance) C4'-P energy: -5.855 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -4.971 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: 1, replica: 5 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -79.846166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.846166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.846166 (E_RNA) where: Base-Base interactions energy: -39.002 where: short stacking energy: -35.548 Base-Backbone interact. energy: -0.000 local terms energy: -40.844297 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.996 flat angles P-C4'-P energy: -6.654 tors. eta vs tors. theta energy: -10.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -73.258591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.258591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.258591 (E_RNA) where: Base-Base interactions energy: -38.975 where: short stacking energy: -21.684 Base-Backbone interact. energy: -0.000 local terms energy: -34.283639 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -58.851567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.851567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.851567 (E_RNA) where: Base-Base interactions energy: -24.681 where: short stacking energy: -24.681 Base-Backbone interact. energy: -0.000 local terms energy: -34.170741 where: bonds (distance) C4'-P energy: -5.116 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -8.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -52.038598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.038598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.038598 (E_RNA) where: Base-Base interactions energy: -18.141 where: short stacking energy: -18.141 Base-Backbone interact. energy: -0.070 local terms energy: -33.827298 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -47.628502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.628502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.628502 (E_RNA) where: Base-Base interactions energy: -20.792 where: short stacking energy: -12.002 Base-Backbone interact. energy: -0.024 local terms energy: -26.812374 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -1.606 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -48.084552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.084552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.084552 (E_RNA) where: Base-Base interactions energy: -18.768 where: short stacking energy: -17.691 Base-Backbone interact. energy: -0.021 local terms energy: -29.295587 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -5.272 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: 3 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -50.048168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.048168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.048168 (E_RNA) where: Base-Base interactions energy: -21.190 where: short stacking energy: -18.802 Base-Backbone interact. energy: -0.011 local terms energy: -28.847932 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -47.581001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.581001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.581001 (E_RNA) where: Base-Base interactions energy: -17.833 where: short stacking energy: -17.833 Base-Backbone interact. energy: -0.562 local terms energy: -29.185094 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -2.317 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: 9, replica: 9 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -46.813691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.813691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.813691 (E_RNA) where: Base-Base interactions energy: -14.152 where: short stacking energy: -14.152 Base-Backbone interact. energy: 0.724 local terms energy: -33.385197 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -4.931 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: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -43.226136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.226136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.226136 (E_RNA) where: Base-Base interactions energy: -12.991 where: short stacking energy: -11.762 Base-Backbone interact. energy: -0.004 local terms energy: -30.230619 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -65.620432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.620432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.620432 (E_RNA) where: Base-Base interactions energy: -29.740 where: short stacking energy: -24.587 Base-Backbone interact. energy: -0.000 local terms energy: -35.880518 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -5.259 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: 2, replica: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -61.734115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.734115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.734115 (E_RNA) where: Base-Base interactions energy: -23.384 where: short stacking energy: -23.384 Base-Backbone interact. energy: -0.001 local terms energy: -38.349433 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -60.411594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.411594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.411594 (E_RNA) where: Base-Base interactions energy: -28.433 where: short stacking energy: -19.837 Base-Backbone interact. energy: -0.045 local terms energy: -31.933907 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -5.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -56.690201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.690201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.690201 (E_RNA) where: Base-Base interactions energy: -22.851 where: short stacking energy: -22.057 Base-Backbone interact. energy: 0.058 local terms energy: -33.897290 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -6.885 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: 5, replica: 7 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -51.116791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.116791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.116791 (E_RNA) where: Base-Base interactions energy: -18.419 where: short stacking energy: -18.419 Base-Backbone interact. energy: -0.002 local terms energy: -32.695276 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -5.695 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: 6, replica: 3 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -49.096269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.096269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.096269 (E_RNA) where: Base-Base interactions energy: -21.016 where: short stacking energy: -21.016 Base-Backbone interact. energy: -0.223 local terms energy: -27.857757 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -55.974504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.974504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.974504 (E_RNA) where: Base-Base interactions energy: -29.357 where: short stacking energy: -18.565 Base-Backbone interact. energy: -0.001 local terms energy: -26.616134 where: bonds (distance) C4'-P energy: -3.478 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -5.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -44.922223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.922223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.922223 (E_RNA) where: Base-Base interactions energy: -13.130 where: short stacking energy: -11.295 Base-Backbone interact. energy: 1.332 local terms energy: -33.124497 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.282 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -42.460503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.460503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.460503 (E_RNA) where: Base-Base interactions energy: -23.399 where: short stacking energy: -4.549 Base-Backbone interact. energy: 0.072 local terms energy: -19.132988 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -7.811 flat angles C4'-P-C4' energy: -3.151 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: 0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -40.044354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.044354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.044354 (E_RNA) where: Base-Base interactions energy: -16.624 where: short stacking energy: -14.257 Base-Backbone interact. energy: -0.111 local terms energy: -23.309007 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -2.387 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: 1, replica: 5 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -63.581635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.581635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.581635 (E_RNA) where: Base-Base interactions energy: -26.974 where: short stacking energy: -26.974 Base-Backbone interact. energy: -0.000 local terms energy: -36.607616 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -6.550 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: 2, replica: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -64.875692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.875692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.875692 (E_RNA) where: Base-Base interactions energy: -37.807 where: short stacking energy: -14.290 Base-Backbone interact. energy: -0.812 local terms energy: -26.256051 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: 1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -55.351037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.351037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.351037 (E_RNA) where: Base-Base interactions energy: -27.362 where: short stacking energy: -15.983 Base-Backbone interact. energy: -0.035 local terms energy: -27.954220 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -53.341635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.341635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.341635 (E_RNA) where: Base-Base interactions energy: -21.524 where: short stacking energy: -13.207 Base-Backbone interact. energy: -0.109 local terms energy: -31.708165 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -54.030510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.030510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.030510 (E_RNA) where: Base-Base interactions energy: -29.263 where: short stacking energy: -19.552 Base-Backbone interact. energy: -0.004 local terms energy: -24.763649 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -3.691 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -3.649 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: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -48.824157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.824157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.824157 (E_RNA) where: Base-Base interactions energy: -15.745 where: short stacking energy: -15.745 Base-Backbone interact. energy: -0.146 local terms energy: -32.932985 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -46.575684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.575684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.575684 (E_RNA) where: Base-Base interactions energy: -17.259 where: short stacking energy: -15.486 Base-Backbone interact. energy: -0.080 local terms energy: -29.237094 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -5.455 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: 8, replica: 2 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -44.772081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.772081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.772081 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.008 local terms energy: -32.049259 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -3.569 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: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -40.805625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.805625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.805625 (E_RNA) where: Base-Base interactions energy: -16.943 where: short stacking energy: -8.490 Base-Backbone interact. energy: -0.034 local terms energy: -23.828698 where: bonds (distance) C4'-P energy: -3.751 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: 1.480 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: 10, replica: 6 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -41.055024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.055024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.055024 (E_RNA) where: Base-Base interactions energy: -12.438 where: short stacking energy: -8.600 Base-Backbone interact. energy: 0.137 local terms energy: -28.753740 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -0.127 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: 1, replica: 5 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -70.413105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.413105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.413105 (E_RNA) where: Base-Base interactions energy: -32.508 where: short stacking energy: -32.508 Base-Backbone interact. energy: -0.000 local terms energy: -37.905401 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -6.024 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -11.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -57.698679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.698679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.698679 (E_RNA) where: Base-Base interactions energy: -24.165 where: short stacking energy: -23.636 Base-Backbone interact. energy: -0.000 local terms energy: -33.533257 where: bonds (distance) C4'-P energy: -4.095 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -6.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -59.719098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.719098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.719098 (E_RNA) where: Base-Base interactions energy: -37.649 where: short stacking energy: -14.747 Base-Backbone interact. energy: -0.115 local terms energy: -21.954755 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: 2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -47.159605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.159605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.159605 (E_RNA) where: Base-Base interactions energy: -20.769 where: short stacking energy: -9.794 Base-Backbone interact. energy: -0.024 local terms energy: -26.366582 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: 2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -52.818248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.818248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.818248 (E_RNA) where: Base-Base interactions energy: -24.856 where: short stacking energy: -17.887 Base-Backbone interact. energy: -0.092 local terms energy: -27.870436 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -5.753 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: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -46.068592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.068592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.068592 (E_RNA) where: Base-Base interactions energy: -14.477 where: short stacking energy: -14.477 Base-Backbone interact. energy: -0.157 local terms energy: -31.434311 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -5.213 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: 7, replica: 9 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -48.945726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.945726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.945726 (E_RNA) where: Base-Base interactions energy: -21.209 where: short stacking energy: -21.042 Base-Backbone interact. energy: -0.016 local terms energy: -27.719946 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -38.935071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.935071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.935071 (E_RNA) where: Base-Base interactions energy: -11.288 where: short stacking energy: -11.288 Base-Backbone interact. energy: -0.098 local terms energy: -27.549134 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -3.788 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: 9, replica: 2 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -40.423163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.423163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.423163 (E_RNA) where: Base-Base interactions energy: -13.192 where: short stacking energy: -13.192 Base-Backbone interact. energy: -0.111 local terms energy: -27.119929 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: 0.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -38.123505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.123505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.123505 (E_RNA) where: Base-Base interactions energy: -13.382 where: short stacking energy: -13.382 Base-Backbone interact. energy: -0.005 local terms energy: -24.737078 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -5.564 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) out arg RESULTS//1/BYH-42263909_01 DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -66.517876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.517876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.517876 (E_RNA) where: Base-Base interactions energy: -29.089 where: short stacking energy: -29.089 Base-Backbone interact. energy: -0.000 local terms energy: -37.429081 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -5.660 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: 2, replica: 5 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -62.534914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.534914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.534914 (E_RNA) where: Base-Base interactions energy: -33.377 where: short stacking energy: -23.613 Base-Backbone interact. energy: -0.050 local terms energy: -29.107213 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -2.580 tors. eta vs tors. theta energy: -6.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -62.336135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.336135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.336135 (E_RNA) where: Base-Base interactions energy: -26.992 where: short stacking energy: -26.992 Base-Backbone interact. energy: -0.000 local terms energy: -35.343559 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -8.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -54.468714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.468714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.468714 (E_RNA) where: Base-Base interactions energy: -20.670 where: short stacking energy: -20.670 Base-Backbone interact. energy: -0.056 local terms energy: -33.742956 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -4.356 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: 5, replica: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -56.393168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.393168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.393168 (E_RNA) where: Base-Base interactions energy: -25.184 where: short stacking energy: -20.491 Base-Backbone interact. energy: -0.112 local terms energy: -31.096786 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.969 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -3.329 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: 6, replica: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -47.577369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.577369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.577369 (E_RNA) where: Base-Base interactions energy: -22.673 where: short stacking energy: -16.495 Base-Backbone interact. energy: -0.097 local terms energy: -24.807384 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -1.392 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: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -48.874572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.874572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.874572 (E_RNA) where: Base-Base interactions energy: -14.423 where: short stacking energy: -14.897 Base-Backbone interact. energy: -0.014 local terms energy: -34.437656 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -5.965 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: 9 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -50.016104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.016104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.016104 (E_RNA) where: Base-Base interactions energy: -18.576 where: short stacking energy: -18.576 Base-Backbone interact. energy: -0.013 local terms energy: -31.426787 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -44.040235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.040235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.040235 (E_RNA) where: Base-Base interactions energy: -16.871 where: short stacking energy: -16.871 Base-Backbone interact. energy: -0.083 local terms energy: -27.086098 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -4.070 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: 2 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -42.060624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.060624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.060624 (E_RNA) where: Base-Base interactions energy: -12.872 where: short stacking energy: -12.872 Base-Backbone interact. energy: -0.009 local terms energy: -29.179835 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) 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: 499 Temperature: 0.900000 Total energy: -68.002404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.002404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.002404 (E_RNA) where: Base-Base interactions energy: -31.080 where: short stacking energy: -31.080 Base-Backbone interact. energy: -0.003 local terms energy: -36.919363 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -5.627 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: 2, replica: 5 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -56.092133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.092133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.092133 (E_RNA) where: Base-Base interactions energy: -25.310 where: short stacking energy: -24.626 Base-Backbone interact. energy: -0.000 local terms energy: -30.781483 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -8.632 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -61.119861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.119861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.119861 (E_RNA) where: Base-Base interactions energy: -29.464 where: short stacking energy: -19.373 Base-Backbone interact. energy: -0.031 local terms energy: -31.624289 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -56.529502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.529502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.529502 (E_RNA) where: Base-Base interactions energy: -22.939 where: short stacking energy: -22.614 Base-Backbone interact. energy: -0.000 local terms energy: -33.590831 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -49.978092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.978092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.978092 (E_RNA) where: Base-Base interactions energy: -17.090 where: short stacking energy: -17.090 Base-Backbone interact. energy: -0.278 local terms energy: -32.610212 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -56.756765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.756765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.756765 (E_RNA) where: Base-Base interactions energy: -25.466 where: short stacking energy: -14.726 Base-Backbone interact. energy: 0.545 local terms energy: -31.835701 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -6.181 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: 7, replica: 1 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -46.571727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.571727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.571727 (E_RNA) where: Base-Base interactions energy: -20.988 where: short stacking energy: -20.988 Base-Backbone interact. energy: -0.000 local terms energy: -25.583505 where: bonds (distance) C4'-P energy: -4.765 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -3.357 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: 8, replica: 6 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -47.329059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.329059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.329059 (E_RNA) where: Base-Base interactions energy: -21.165 where: short stacking energy: -16.098 Base-Backbone interact. energy: -0.102 local terms energy: -26.062064 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -41.756875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.756875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.756875 (E_RNA) where: Base-Base interactions energy: -16.934 where: short stacking energy: -14.285 Base-Backbone interact. energy: 0.305 local terms energy: -25.128331 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -2.525 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: 10, replica: 2 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -52.159195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.159195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.159195 (E_RNA) where: Base-Base interactions energy: -19.931 where: short stacking energy: -19.931 Base-Backbone interact. energy: -0.418 local terms energy: -31.810196 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.858 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -5.119 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) 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: 500 Temperature: 0.900000 Total energy: -61.408722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.408722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.408722 (E_RNA) where: Base-Base interactions energy: -28.077 where: short stacking energy: -28.077 Base-Backbone interact. energy: -0.018 local terms energy: -33.313511 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.577 flat angles P-C4'-P energy: -1.826 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: 2, replica: 8 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -63.308859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.308859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.308859 (E_RNA) where: Base-Base interactions energy: -30.204 where: short stacking energy: -20.233 Base-Backbone interact. energy: -0.052 local terms energy: -33.052234 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -3.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -60.476645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.476645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.476645 (E_RNA) where: Base-Base interactions energy: -30.501 where: short stacking energy: -26.480 Base-Backbone interact. energy: -0.003 local terms energy: -29.973094 where: bonds (distance) C4'-P energy: -5.136 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -5.425 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: 4, replica: 4 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -59.701284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.701284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.701284 (E_RNA) where: Base-Base interactions energy: -26.190 where: short stacking energy: -24.358 Base-Backbone interact. energy: -0.006 local terms energy: -33.504616 where: bonds (distance) C4'-P energy: -7.062 bonds (distance) P-C4' energy: -7.502 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -56.208112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.208112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.208112 (E_RNA) where: Base-Base interactions energy: -23.174 where: short stacking energy: -21.873 Base-Backbone interact. energy: -0.078 local terms energy: -32.956112 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -9.234 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -49.990439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.990439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.990439 (E_RNA) where: Base-Base interactions energy: -17.874 where: short stacking energy: -17.874 Base-Backbone interact. energy: -0.054 local terms energy: -32.062605 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -3.016 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: 6 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -47.100140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.100140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.100140 (E_RNA) where: Base-Base interactions energy: -16.125 where: short stacking energy: -16.125 Base-Backbone interact. energy: -0.048 local terms energy: -30.927063 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -44.545123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.545123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.545123 (E_RNA) where: Base-Base interactions energy: -17.004 where: short stacking energy: -17.004 Base-Backbone interact. energy: -0.005 local terms energy: -27.536051 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -3.202 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: 9 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -45.967367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.967367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.967367 (E_RNA) where: Base-Base interactions energy: -22.019 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.012 local terms energy: -23.935927 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: 0.860 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: 10, replica: 2 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -41.385524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.385524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.385524 (E_RNA) where: Base-Base interactions energy: -14.896 where: short stacking energy: -14.260 Base-Backbone interact. energy: -0.011 local terms energy: -26.478086 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -1.489 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) 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: 501 Temperature: 0.900000 Total energy: -69.333402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.333402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.333402 (E_RNA) where: Base-Base interactions energy: -31.903 where: short stacking energy: -28.256 Base-Backbone interact. energy: -0.000 local terms energy: -37.430777 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -8.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -63.489206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.489206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.489206 (E_RNA) where: Base-Base interactions energy: -29.482 where: short stacking energy: -29.482 Base-Backbone interact. energy: -0.000 local terms energy: -34.007242 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -5.867 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: 8 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -58.063457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.063457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.063457 (E_RNA) where: Base-Base interactions energy: -25.531 where: short stacking energy: -24.713 Base-Backbone interact. energy: -0.042 local terms energy: -32.490002 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -7.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -58.348075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.348075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.348075 (E_RNA) where: Base-Base interactions energy: -21.266 where: short stacking energy: -21.266 Base-Backbone interact. energy: -0.080 local terms energy: -37.001380 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -50.849204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.849204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.849204 (E_RNA) where: Base-Base interactions energy: -18.203 where: short stacking energy: -18.203 Base-Backbone interact. energy: -0.029 local terms energy: -32.617687 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -5.777 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: 6, replica: 6 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -52.748403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.748403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.748403 (E_RNA) where: Base-Base interactions energy: -23.164 where: short stacking energy: -21.468 Base-Backbone interact. energy: -0.060 local terms energy: -29.524248 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -7.418 flat angles P-C4'-P energy: -4.177 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: 7 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -49.971394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.971394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.971394 (E_RNA) where: Base-Base interactions energy: -19.965 where: short stacking energy: -19.965 Base-Backbone interact. energy: -0.097 local terms energy: -29.908693 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.998 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -50.193968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.193968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.193968 (E_RNA) where: Base-Base interactions energy: -21.754 where: short stacking energy: -19.505 Base-Backbone interact. energy: 0.161 local terms energy: -28.601013 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -6.494 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: 1 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -41.076747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.076747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.076747 (E_RNA) where: Base-Base interactions energy: -11.937 where: short stacking energy: -11.937 Base-Backbone interact. energy: -0.018 local terms energy: -29.121891 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -43.331571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.331571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.331571 (E_RNA) where: Base-Base interactions energy: -19.492 where: short stacking energy: -19.492 Base-Backbone interact. energy: 0.239 local terms energy: -24.077926 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11539038 moves confirmed later: 14210706 all moves confirmed: 25749744 percent of confirmed moves: 3.218718 current total energy: -30.463868 recalc. total energy: -30.463868 replica 5 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 11947890 moves confirmed later: 14844213 all moves confirmed: 26792103 percent of confirmed moves: 3.349013 current total energy: -60.561259 recalc. total energy: -60.561259 replica 10 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 11976984 moves confirmed later: 14906672 all moves confirmed: 26883656 percent of confirmed moves: 3.360457 current total energy: -26.028633 recalc. total energy: -26.028633 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 11994341 moves confirmed later: 14955120 all moves confirmed: 26949461 percent of confirmed moves: 3.368683 current total energy: -27.021463 recalc. total energy: -27.021463 replica 4 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 11772469 moves confirmed later: 14562332 all moves confirmed: 26334801 percent of confirmed moves: 3.291850 current total energy: -39.661897 recalc. total energy: -39.661897 replica 6 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 11867857 moves confirmed later: 14731936 all moves confirmed: 26599793 percent of confirmed moves: 3.324974 current total energy: -16.918132 recalc. total energy: -16.918132 replica 9 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 11839701 moves confirmed later: 14684629 all moves confirmed: 26524330 percent of confirmed moves: 3.315541 current total energy: -6.773775 recalc. total energy: -6.773775 replica 7 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 11816528 moves confirmed later: 14641251 all moves confirmed: 26457779 percent of confirmed moves: 3.307222 current total energy: -12.041183 recalc. total energy: -12.041183 replica 2 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 11923681 moves confirmed later: 14829601 all moves confirmed: 26753282 percent of confirmed moves: 3.344160 current total energy: -18.768178 recalc. total energy: -18.768178 replica 1 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 11860502 moves confirmed later: 14705439 all moves confirmed: 26565941 percent of confirmed moves: 3.320743 current total energy: -13.485457 recalc. total energy: -13.485457 Time of doing 8000000 iterations: 513.968 seconds